REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 3n23_1_C DATA FIRST_RESID 25 DATA SEQUENCE MDELKKEVSM DDHKLSLDEL HRKYGTDLSR GLTPARAAEI LARDGPNALT DATA SEQUENCE PPPTTPEWVK FCRQLFGGFS MLLWIGAILC FLAYGIQAAT EEEPQNDNLY DATA SEQUENCE LGVVLSAVVI ITGCFSYYQE AKSSKIMESF KNMVPQQALV IRNGEKMSIN DATA SEQUENCE AEEVVVGDLV EVKGGDRIPA DLRIISANGC KVDNSSLTGE SEPQTRSPDF DATA SEQUENCE TNENPLETRN IAFFSTNCVE GTARGIVVYT GDRTVMGRIA TLASGLEGGQ DATA SEQUENCE TPIAAEIEHF IHIITGVAVF LGVSFFILSL ILEYTWLEAV IFLIGIIVAN DATA SEQUENCE VPEGLLATVT VCLTLTAKRM ARKNCLVKNL EAVETLGSTS TICSXKTGTL DATA SEQUENCE TQNRMTVAHM WSDNQIHEAD TTENQSGVSF DKTSATWLAL SRIAGLCNRA DATA SEQUENCE VFQANQENLP ILKRAVAGDA SESALLKCIE LCCGSVKEMR ERYTKIVEIP DATA SEQUENCE FNSTNKYQLS IHKNPNTAEP RHLLVMKGAP ERILDRCSSI LIHGKEQPLD DATA SEQUENCE EELKDAFQNA YLELGGLGER VLGFCHLFLP DEQFPEGFQF DTDDVNFPLD DATA SEQUENCE NLCFVGLISM IDPPRAAVPD AVGKCRSAGI KVIMVTGDHP ITAKAIAKGV DATA SEQUENCE GIISEGNETV EDIAARLNIP VSQVNPRDAK ACVVHGSDLK DMTSEQLDDI DATA SEQUENCE LKYHTEIVFA RTSPQQKLII VEGCQRQGAI VAVTGDGVND SPASKKADIG DATA SEQUENCE VAMGIAGSDV SKQAADMILL DDNFASIVTG VEEGRLIFDN LKKSIAYTLT DATA SEQUENCE SNIPEITPFL IFIIANIPLP LGTVTILCID LGTDMVPAIS LAYEQAESDI DATA SEQUENCE MKRQPRNPKT DKLVNEQLIS MAYGQIGMIQ ALGGFFTYFV ILAENGFLPI DATA SEQUENCE HLLGLRVNWD DRWINDVEDS YGQQWTYEQR KIVEFTCHTP FFVTIVVVQW DATA SEQUENCE ADLVICKTRR NSVFQQGMKN KILIFGLFEE TALAAFLSYC PGMGVALRMY DATA SEQUENCE PLKPTWWFCA FPYSLLIFVY DEVRKLIIRR RPGGWVEKET YY VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 25 M HA 0.000 nan 4.480 nan 0.000 0.227 25 M C 0.000 176.294 176.300 -0.010 0.000 1.140 25 M CA 0.000 55.295 55.300 -0.008 0.000 0.988 25 M CB 0.000 32.595 32.600 -0.008 0.000 1.302 26 D N 1.279 121.671 120.400 -0.013 0.000 2.218 26 D HA -0.075 4.565 4.640 -0.000 0.000 0.204 26 D C 1.592 177.882 176.300 -0.016 0.000 0.976 26 D CA 1.367 55.356 54.000 -0.017 0.000 0.853 26 D CB 0.001 40.789 40.800 -0.020 0.000 0.939 26 D HN 0.403 nan 8.370 nan 0.000 0.481 27 E N -0.089 120.104 120.200 -0.013 0.000 2.219 27 E HA -0.152 4.198 4.350 -0.000 0.000 0.198 27 E C 1.730 178.325 176.600 -0.008 0.000 0.998 27 E CA 0.254 56.647 56.400 -0.011 0.000 0.818 27 E CB -0.188 29.508 29.700 -0.008 0.000 0.741 27 E HN 0.194 nan 8.360 nan 0.000 0.477 28 L N 0.520 121.739 121.223 -0.007 0.000 2.275 28 L HA -0.098 4.242 4.340 -0.000 0.000 0.215 28 L C 1.250 178.115 176.870 -0.007 0.000 1.119 28 L CA 1.612 56.449 54.840 -0.004 0.000 0.790 28 L CB 0.061 42.119 42.059 -0.003 0.000 0.919 28 L HN -0.056 nan 8.230 nan 0.000 0.443 29 K N -0.644 119.748 120.400 -0.014 0.000 2.404 29 K HA 0.065 4.384 4.320 -0.000 0.000 0.194 29 K C 1.139 177.727 176.600 -0.021 0.000 1.023 29 K CA 0.117 56.393 56.287 -0.019 0.000 1.094 29 K CB 0.256 32.741 32.500 -0.025 0.000 0.841 29 K HN 0.340 nan 8.250 nan 0.000 0.523 30 K N 1.238 121.627 120.400 -0.017 0.000 2.417 30 K HA 0.074 4.394 4.320 -0.000 0.000 0.196 30 K C -0.240 176.351 176.600 -0.014 0.000 1.023 30 K CA 0.360 56.635 56.287 -0.020 0.000 1.122 30 K CB 0.383 32.870 32.500 -0.021 0.000 0.850 30 K HN 0.180 nan 8.250 nan 0.000 0.521 31 E N 0.172 120.368 120.200 -0.007 0.000 2.288 31 E HA 0.218 4.568 4.350 -0.000 0.000 0.268 31 E C -0.781 175.824 176.600 0.009 0.000 0.885 31 E CA -0.701 55.701 56.400 0.003 0.000 0.767 31 E CB 2.647 32.352 29.700 0.009 0.000 1.220 31 E HN -0.222 nan 8.360 nan 0.000 0.427 32 V N 2.025 121.950 119.914 0.018 0.000 3.230 32 V HA -0.076 4.044 4.120 -0.000 0.000 0.302 32 V C 0.077 176.196 176.094 0.042 0.000 1.158 32 V CA 0.740 63.058 62.300 0.029 0.000 1.279 32 V CB 0.996 32.844 31.823 0.042 0.000 0.983 32 V HN 0.722 nan 8.190 nan 0.000 0.506 33 S N 4.034 119.768 115.700 0.057 0.000 2.738 33 S HA 0.814 5.284 4.470 -0.000 0.000 0.284 33 S C -0.413 174.258 174.600 0.118 0.000 1.146 33 S CA -0.776 57.473 58.200 0.081 0.000 0.997 33 S CB 1.481 64.734 63.200 0.089 0.000 1.081 33 S HN 0.606 nan 8.310 nan 0.000 0.553 34 M N 0.464 120.155 119.600 0.150 0.000 2.761 34 M HA 0.722 5.202 4.480 -0.000 0.000 0.305 34 M C -0.743 175.699 176.300 0.237 0.000 1.235 34 M CA -0.518 54.885 55.300 0.173 0.000 0.850 34 M CB 0.905 33.584 32.600 0.131 0.000 1.744 34 M HN 0.396 nan 8.290 nan 0.000 0.480 35 D N -0.770 119.773 120.400 0.238 0.000 2.838 35 D HA 0.397 5.037 4.640 -0.000 0.000 0.334 35 D C -1.188 175.241 176.300 0.214 0.000 1.315 35 D CA -0.154 54.008 54.000 0.269 0.000 0.917 35 D CB 1.943 42.942 40.800 0.333 0.000 1.435 35 D HN 0.869 nan 8.370 nan 0.000 0.517 36 D N -2.398 118.131 120.400 0.214 0.000 2.672 36 D HA 0.014 4.654 4.640 -0.000 0.000 0.287 36 D C 0.770 177.054 176.300 -0.026 0.000 1.559 36 D CA -0.067 53.939 54.000 0.009 0.000 0.796 36 D CB -1.223 39.573 40.800 -0.007 0.000 1.181 36 D HN 0.521 nan 8.370 nan 0.000 0.458 37 H N 0.376 119.431 119.070 -0.025 0.000 2.518 37 H HA 0.013 4.569 4.556 -0.000 0.000 0.294 37 H C 0.797 176.081 175.328 -0.073 0.000 1.083 37 H CA 0.911 56.952 56.048 -0.011 0.000 1.264 37 H CB -0.123 29.670 29.762 0.052 0.000 1.370 37 H HN 0.015 nan 8.280 nan 0.000 0.560 38 K N 0.908 120.969 120.400 -0.566 0.000 2.522 38 K HA 0.193 4.513 4.320 -0.000 0.000 0.194 38 K C -0.384 176.041 176.600 -0.292 0.000 1.026 38 K CA -0.057 55.889 56.287 -0.569 0.000 1.119 38 K CB 0.298 32.386 32.500 -0.686 0.000 0.856 38 K HN 0.307 nan 8.250 nan 0.000 0.513 39 L N 0.871 121.988 121.223 -0.177 0.000 2.360 39 L HA 0.208 4.547 4.340 -0.000 0.000 0.271 39 L C 0.643 177.469 176.870 -0.073 0.000 1.057 39 L CA -0.876 53.892 54.840 -0.119 0.000 0.803 39 L CB 1.385 43.378 42.059 -0.110 0.000 1.207 39 L HN 0.070 nan 8.230 nan 0.000 0.445 40 S N 1.197 116.859 115.700 -0.062 0.000 2.568 40 S HA 0.099 4.569 4.470 -0.000 0.000 0.282 40 S C 1.169 175.745 174.600 -0.040 0.000 1.338 40 S CA -0.626 57.550 58.200 -0.040 0.000 1.045 40 S CB 0.678 63.855 63.200 -0.038 0.000 0.873 40 S HN 0.482 nan 8.310 nan 0.000 0.516 41 L N 1.771 122.972 121.223 -0.038 0.000 2.103 41 L HA -0.178 4.162 4.340 -0.000 0.000 0.215 41 L C 2.493 179.315 176.870 -0.080 0.000 1.080 41 L CA 2.361 57.165 54.840 -0.060 0.000 0.764 41 L CB -1.258 40.749 42.059 -0.085 0.000 0.890 41 L HN 0.974 nan 8.230 nan 0.000 0.435 42 D N -0.077 120.284 120.400 -0.065 0.000 2.088 42 D HA -0.223 4.417 4.640 -0.000 0.000 0.191 42 D C 1.928 178.250 176.300 0.036 0.000 0.992 42 D CA 1.940 55.932 54.000 -0.013 0.000 0.831 42 D CB -0.167 40.628 40.800 -0.008 0.000 0.973 42 D HN 0.493 nan 8.370 nan 0.000 0.447 43 E N -0.105 120.079 120.200 -0.027 0.000 2.085 43 E HA -0.173 4.177 4.350 -0.000 0.000 0.194 43 E C 2.438 178.954 176.600 -0.140 0.000 0.994 43 E CA 0.683 57.040 56.400 -0.073 0.000 0.801 43 E CB -0.379 29.266 29.700 -0.093 0.000 0.743 43 E HN 0.288 nan 8.360 nan 0.000 0.453 44 L N 0.356 121.499 121.223 -0.134 0.000 2.357 44 L HA -0.258 4.082 4.340 -0.000 0.000 0.220 44 L C 2.377 179.089 176.870 -0.262 0.000 1.123 44 L CA 1.287 55.984 54.840 -0.238 0.000 0.782 44 L CB -0.241 41.795 42.059 -0.039 0.000 0.910 44 L HN 0.324 nan 8.230 nan 0.000 0.442 45 H N -1.612 117.341 119.070 -0.195 0.000 2.501 45 H HA 0.047 4.602 4.556 -0.000 0.000 0.281 45 H C 2.128 177.406 175.328 -0.084 0.000 0.988 45 H CA 0.052 56.054 56.048 -0.075 0.000 1.232 45 H CB 0.515 30.252 29.762 -0.041 0.000 1.455 45 H HN 0.132 nan 8.280 nan 0.000 0.501 46 R N 1.298 121.759 120.500 -0.066 0.000 2.236 46 R HA -0.020 4.320 4.340 -0.000 0.000 0.208 46 R C 1.766 177.975 176.300 -0.153 0.000 1.036 46 R CA 0.435 56.471 56.100 -0.107 0.000 1.001 46 R CB 0.199 30.462 30.300 -0.061 0.000 0.896 46 R HN 0.182 nan 8.270 nan 0.000 0.464 47 K N -0.506 119.728 120.400 -0.277 0.000 2.186 47 K HA -0.063 4.257 4.320 -0.000 0.000 0.202 47 K C 0.505 176.954 176.600 -0.251 0.000 1.052 47 K CA 0.845 56.909 56.287 -0.371 0.000 0.965 47 K CB 0.269 32.381 32.500 -0.647 0.000 0.746 47 K HN 0.177 nan 8.250 nan 0.000 0.457 48 Y N -0.022 120.250 120.300 -0.046 0.000 2.507 48 Y HA 0.265 4.815 4.550 -0.000 0.000 0.254 48 Y C 0.851 176.703 175.900 -0.080 0.000 1.171 48 Y CA -0.707 57.361 58.100 -0.053 0.000 1.238 48 Y CB 0.042 38.479 38.460 -0.038 0.000 1.148 48 Y HN 0.061 nan 8.280 nan 0.000 0.525 49 G N 1.831 110.622 108.800 -0.015 0.000 2.396 49 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.288 49 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.288 49 G C 0.316 175.159 174.900 -0.096 0.000 0.926 49 G CA 1.269 46.320 45.100 -0.082 0.000 1.211 49 G HN 0.447 nan 8.290 nan 0.000 0.496 50 T N -1.279 113.166 114.554 -0.182 0.000 2.864 50 T HA 0.578 4.928 4.350 -0.000 0.000 0.289 50 T C -1.179 173.361 174.700 -0.266 0.000 1.082 50 T CA -0.341 61.685 62.100 -0.124 0.000 1.009 50 T CB 2.148 71.029 68.868 0.022 0.000 1.234 50 T HN 0.129 nan 8.240 nan 0.000 0.526 51 D N 1.220 121.622 120.400 0.004 0.000 2.185 51 D HA 0.291 4.931 4.640 -0.000 0.000 0.247 51 D C 0.705 177.209 176.300 0.340 0.000 1.027 51 D CA -0.499 53.625 54.000 0.206 0.000 0.861 51 D CB 1.915 42.773 40.800 0.097 0.000 1.202 51 D HN 0.498 nan 8.370 nan 0.000 0.453 52 L N 2.675 124.140 121.223 0.405 0.000 2.307 52 L HA -0.036 4.304 4.340 -0.000 0.000 0.211 52 L C 1.633 178.534 176.870 0.052 0.000 1.099 52 L CA 0.895 55.794 54.840 0.097 0.000 0.816 52 L CB 0.079 42.022 42.059 -0.193 0.000 0.952 52 L HN 0.407 nan 8.230 nan 0.000 0.455 53 S N -2.352 113.384 115.700 0.061 0.000 2.520 53 S HA 0.191 4.661 4.470 -0.000 0.000 0.219 53 S C 1.858 176.482 174.600 0.040 0.000 1.028 53 S CA -0.615 57.607 58.200 0.036 0.000 0.921 53 S CB 0.171 63.385 63.200 0.024 0.000 0.844 53 S HN 0.243 nan 8.310 nan 0.000 0.495 54 R N 1.573 122.106 120.500 0.055 0.000 2.121 54 R HA 0.419 4.759 4.340 -0.000 0.000 0.206 54 R C 1.181 177.506 176.300 0.041 0.000 1.094 54 R CA 1.032 57.158 56.100 0.042 0.000 1.055 54 R CB -0.776 29.548 30.300 0.040 0.000 0.964 54 R HN 0.568 nan 8.270 nan 0.000 0.473 55 G N 1.682 110.516 108.800 0.057 0.000 2.731 55 G HA2 -0.204 3.756 3.960 -0.000 0.000 0.686 55 G HA3 -0.204 3.756 3.960 -0.000 0.000 0.686 55 G C -0.281 174.635 174.900 0.028 0.000 1.395 55 G CA -0.250 44.877 45.100 0.047 0.000 0.870 55 G HN 0.130 nan 8.290 nan 0.000 0.591 56 L N -0.260 120.974 121.223 0.019 0.000 2.435 56 L HA 0.593 4.932 4.340 -0.000 0.000 0.258 56 L C 1.342 178.214 176.870 0.004 0.000 1.257 56 L CA 0.044 54.886 54.840 0.005 0.000 0.823 56 L CB -1.029 41.030 42.059 -0.000 0.000 1.111 56 L HN 0.691 nan 8.230 nan 0.000 0.543 57 T N 1.068 115.622 114.554 -0.000 0.000 2.856 57 T HA 0.251 4.601 4.350 -0.000 0.000 0.292 57 T C -1.607 173.093 174.700 -0.000 0.000 0.980 57 T CA -0.756 61.344 62.100 0.000 0.000 1.091 57 T CB 1.149 70.016 68.868 -0.002 0.000 0.936 57 T HN 0.564 nan 8.240 nan 0.000 0.503 58 P HA -0.202 nan 4.420 nan 0.000 0.218 58 P C 1.238 178.537 177.300 -0.001 0.000 1.146 58 P CA 1.035 64.136 63.100 0.000 0.000 0.820 58 P CB 0.067 31.768 31.700 0.001 0.000 0.778 59 A N 0.194 123.013 122.820 -0.001 0.000 1.872 59 A HA -0.116 4.204 4.320 -0.000 0.000 0.214 59 A C 2.290 179.872 177.584 -0.004 0.000 1.187 59 A CA 1.078 53.114 52.037 -0.002 0.000 0.614 59 A CB -0.845 18.154 19.000 -0.002 0.000 0.826 59 A HN -0.052 nan 8.150 nan 0.000 0.442 60 R N 0.066 120.563 120.500 -0.004 0.000 2.293 60 R HA 0.039 4.379 4.340 -0.000 0.000 0.219 60 R C 1.966 178.261 176.300 -0.007 0.000 1.091 60 R CA 1.061 57.157 56.100 -0.005 0.000 1.004 60 R CB -1.077 29.219 30.300 -0.006 0.000 0.865 60 R HN 0.574 nan 8.270 nan 0.000 0.469 61 A N 0.525 123.342 122.820 -0.006 0.000 1.859 61 A HA 0.147 4.467 4.320 -0.000 0.000 0.212 61 A C 2.270 179.849 177.584 -0.009 0.000 1.238 61 A CA 1.010 53.043 52.037 -0.008 0.000 0.613 61 A CB -0.788 18.209 19.000 -0.005 0.000 0.904 61 A HN 0.235 nan 8.150 nan 0.000 0.457 62 A N 0.024 122.841 122.820 -0.007 0.000 1.986 62 A HA -0.227 4.092 4.320 -0.000 0.000 0.220 62 A C 1.990 179.570 177.584 -0.007 0.000 1.171 62 A CA 2.069 54.102 52.037 -0.006 0.000 0.640 62 A CB -0.626 18.372 19.000 -0.004 0.000 0.811 62 A HN 0.743 nan 8.150 nan 0.000 0.451 63 E N 0.109 120.305 120.200 -0.007 0.000 2.001 63 E HA -0.186 4.164 4.350 -0.000 0.000 0.195 63 E C 1.670 178.265 176.600 -0.008 0.000 1.002 63 E CA 1.531 57.927 56.400 -0.006 0.000 0.819 63 E CB -0.336 29.361 29.700 -0.005 0.000 0.769 63 E HN 0.606 nan 8.360 nan 0.000 0.454 64 I N 1.525 122.089 120.570 -0.011 0.000 2.953 64 I HA -0.213 3.957 4.170 -0.000 0.000 0.271 64 I C 2.325 178.431 176.117 -0.018 0.000 1.286 64 I CA 0.292 61.583 61.300 -0.015 0.000 1.449 64 I CB -0.247 37.740 38.000 -0.021 0.000 1.086 64 I HN 0.331 nan 8.210 nan 0.000 0.483 65 L N 0.766 121.980 121.223 -0.015 0.000 2.071 65 L HA -0.055 4.285 4.340 -0.000 0.000 0.201 65 L C 2.684 179.546 176.870 -0.014 0.000 1.076 65 L CA 1.277 56.107 54.840 -0.016 0.000 0.755 65 L CB -0.247 41.803 42.059 -0.013 0.000 0.915 65 L HN 0.213 nan 8.230 nan 0.000 0.445 66 A N -0.420 122.393 122.820 -0.010 0.000 2.172 66 A HA -0.207 4.112 4.320 -0.000 0.000 0.216 66 A C 2.265 179.845 177.584 -0.008 0.000 1.154 66 A CA 1.233 53.265 52.037 -0.008 0.000 0.701 66 A CB -0.613 18.384 19.000 -0.006 0.000 0.789 66 A HN 0.465 nan 8.150 nan 0.000 0.465 67 R N -0.302 120.193 120.500 -0.008 0.000 2.061 67 R HA -0.123 4.217 4.340 -0.000 0.000 0.230 67 R C 1.102 177.398 176.300 -0.007 0.000 1.140 67 R CA 1.963 58.059 56.100 -0.006 0.000 0.940 67 R CB -0.142 30.155 30.300 -0.006 0.000 0.839 67 R HN 0.484 nan 8.270 nan 0.000 0.429 68 D N -1.555 118.839 120.400 -0.011 0.000 2.527 68 D HA 0.227 4.867 4.640 -0.000 0.000 0.249 68 D C 0.833 177.124 176.300 -0.015 0.000 1.029 68 D CA 1.353 55.346 54.000 -0.011 0.000 0.951 68 D CB 0.479 41.271 40.800 -0.014 0.000 1.093 68 D HN 0.444 nan 8.370 nan 0.000 0.464 69 G N -0.073 108.716 108.800 -0.019 0.000 2.333 69 G HA2 0.307 4.267 3.960 -0.000 0.000 0.288 69 G HA3 0.307 4.267 3.960 -0.000 0.000 0.288 69 G C -2.966 171.918 174.900 -0.026 0.000 1.286 69 G CA -0.862 44.225 45.100 -0.022 0.000 0.865 69 G HN -0.081 nan 8.290 nan 0.000 0.506 70 P HA 0.289 nan 4.420 nan 0.000 0.278 70 P C -0.610 176.661 177.300 -0.047 0.000 1.258 70 P CA -0.746 62.335 63.100 -0.032 0.000 0.811 70 P CB 0.744 32.428 31.700 -0.026 0.000 1.063 71 N N 0.703 119.373 118.700 -0.051 0.000 2.807 71 N HA 0.389 5.128 4.740 -0.000 0.000 0.259 71 N C -1.176 174.277 175.510 -0.095 0.000 1.149 71 N CA 0.010 53.012 53.050 -0.079 0.000 1.042 71 N CB -0.333 38.115 38.487 -0.066 0.000 1.367 71 N HN 0.405 nan 8.380 nan 0.000 0.516 72 A N 2.855 125.608 122.820 -0.112 0.000 2.586 72 A HA 0.344 4.664 4.320 -0.000 0.000 0.291 72 A C -1.107 176.408 177.584 -0.115 0.000 1.062 72 A CA -0.687 51.283 52.037 -0.112 0.000 0.666 72 A CB 0.809 19.778 19.000 -0.052 0.000 1.281 72 A HN 0.418 nan 8.150 nan 0.000 0.421 73 L N 2.447 123.611 121.223 -0.098 0.000 2.360 73 L HA 0.290 4.629 4.340 -0.000 0.000 0.276 73 L C 1.001 177.846 176.870 -0.041 0.000 1.121 73 L CA -0.327 54.470 54.840 -0.072 0.000 0.845 73 L CB 0.846 42.885 42.059 -0.033 0.000 1.143 73 L HN 0.940 nan 8.230 nan 0.000 0.452 74 T N 1.994 116.523 114.554 -0.041 0.000 2.923 74 T HA 0.017 4.367 4.350 -0.000 0.000 0.309 74 T C -2.255 172.434 174.700 -0.018 0.000 1.059 74 T CA -1.248 60.836 62.100 -0.028 0.000 1.133 74 T CB -0.491 68.362 68.868 -0.026 0.000 1.053 74 T HN 0.354 nan 8.240 nan 0.000 0.530 75 P HA 0.109 nan 4.420 nan 0.000 0.253 75 P C -2.224 175.071 177.300 -0.008 0.000 1.159 75 P CA -0.697 62.397 63.100 -0.009 0.000 0.779 75 P CB -0.714 30.982 31.700 -0.007 0.000 0.745 76 P HA 0.058 nan 4.420 nan 0.000 0.262 76 P C -2.126 175.170 177.300 -0.007 0.000 1.199 76 P CA -0.816 62.280 63.100 -0.007 0.000 0.763 76 P CB -0.463 31.234 31.700 -0.005 0.000 0.790 77 P HA 0.043 nan 4.420 nan 0.000 0.235 77 P C -0.461 176.836 177.300 -0.005 0.000 1.670 77 P CA 0.635 63.732 63.100 -0.005 0.000 1.017 77 P CB -0.584 31.113 31.700 -0.005 0.000 1.945 78 T N -1.059 113.492 114.554 -0.006 0.000 3.416 78 T HA 0.153 4.503 4.350 -0.000 0.000 0.245 78 T C 0.265 174.960 174.700 -0.007 0.000 1.081 78 T CA -0.196 61.899 62.100 -0.009 0.000 1.190 78 T CB -0.102 68.758 68.868 -0.014 0.000 1.068 78 T HN -0.004 nan 8.240 nan 0.000 0.580 79 T N 3.473 118.026 114.554 -0.001 0.000 3.332 79 T HA 0.368 4.718 4.350 -0.000 0.000 0.385 79 T C -1.996 172.711 174.700 0.012 0.000 1.695 79 T CA -1.022 61.079 62.100 0.001 0.000 1.397 79 T CB 0.466 69.336 68.868 0.002 0.000 1.100 79 T HN 0.201 nan 8.240 nan 0.000 0.669 80 P HA 0.510 nan 4.420 nan 0.000 0.277 80 P C 0.164 177.492 177.300 0.046 0.000 1.276 80 P CA -0.553 62.568 63.100 0.036 0.000 0.788 80 P CB 0.804 32.523 31.700 0.032 0.000 1.114 81 E N -1.897 118.358 120.200 0.092 0.000 2.454 81 E HA 0.062 4.412 4.350 -0.000 0.000 0.279 81 E C 0.430 177.174 176.600 0.241 0.000 1.029 81 E CA -0.565 55.903 56.400 0.113 0.000 0.831 81 E CB 0.259 30.031 29.700 0.121 0.000 1.405 81 E HN 0.392 nan 8.360 nan 0.000 0.463 82 W N 1.408 122.803 121.300 0.159 0.000 2.305 82 W HA -0.205 4.455 4.660 -0.000 0.000 0.308 82 W C 1.891 178.561 176.519 0.251 0.000 1.226 82 W CA 2.370 59.839 57.345 0.207 0.000 1.253 82 W CB -0.703 28.800 29.460 0.072 0.000 1.146 82 W HN 0.412 nan 8.180 nan 0.000 0.507 83 V N -0.471 119.672 119.914 0.381 0.000 2.764 83 V HA -0.296 3.824 4.120 -0.000 0.000 0.261 83 V C 2.170 178.428 176.094 0.273 0.000 1.108 83 V CA 1.960 64.409 62.300 0.249 0.000 1.129 83 V CB -0.954 30.963 31.823 0.157 0.000 0.701 83 V HN -0.105 nan 8.190 nan 0.000 0.495 84 K N 0.505 121.098 120.400 0.322 0.000 2.160 84 K HA -0.106 4.214 4.320 -0.000 0.000 0.206 84 K C 1.704 178.461 176.600 0.262 0.000 1.047 84 K CA 1.693 58.136 56.287 0.260 0.000 0.930 84 K CB -1.055 31.601 32.500 0.259 0.000 0.720 84 K HN 0.631 nan 8.250 nan 0.000 0.450 85 F N 0.337 120.391 119.950 0.174 0.000 2.176 85 F HA -0.363 4.164 4.527 -0.000 0.000 0.301 85 F C 2.638 178.487 175.800 0.081 0.000 1.071 85 F CA 1.053 59.127 58.000 0.124 0.000 1.289 85 F CB -0.584 38.438 39.000 0.036 0.000 1.028 85 F HN 0.045 nan 8.300 nan 0.000 0.494 86 C N -0.155 119.275 119.300 0.217 0.000 2.413 86 C HA -0.170 4.290 4.460 -0.000 0.000 0.276 86 C C 2.811 177.851 174.990 0.084 0.000 1.248 86 C CA 0.733 59.790 59.018 0.065 0.000 1.742 86 C CB -0.902 26.840 27.740 0.004 0.000 2.017 86 C HN 0.307 nan 8.230 nan 0.000 0.481 87 R N 0.756 121.355 120.500 0.165 0.000 2.261 87 R HA -0.104 4.236 4.340 -0.000 0.000 0.236 87 R C 1.846 178.266 176.300 0.200 0.000 1.141 87 R CA 1.030 57.272 56.100 0.237 0.000 1.001 87 R CB -0.604 29.799 30.300 0.171 0.000 0.866 87 R HN 0.663 nan 8.270 nan 0.000 0.468 88 Q N -0.239 119.649 119.800 0.146 0.000 2.425 88 Q HA 0.120 4.460 4.340 -0.000 0.000 0.204 88 Q C 1.453 177.528 176.000 0.125 0.000 0.933 88 Q CA 0.471 56.356 55.803 0.136 0.000 0.939 88 Q CB 0.432 29.251 28.738 0.135 0.000 1.044 88 Q HN 0.356 nan 8.270 nan 0.000 0.513 89 L N -1.280 119.981 121.223 0.064 0.000 2.769 89 L HA 0.223 4.563 4.340 -0.000 0.000 0.240 89 L C 1.114 177.954 176.870 -0.051 0.000 1.163 89 L CA -0.172 54.641 54.840 -0.045 0.000 0.962 89 L CB -0.099 41.798 42.059 -0.270 0.000 1.258 89 L HN -0.060 nan 8.230 nan 0.000 0.513 90 F N 1.482 121.419 119.950 -0.021 0.000 2.387 90 F HA 0.237 4.764 4.527 -0.000 0.000 0.294 90 F C 2.006 177.807 175.800 0.003 0.000 1.093 90 F CA -0.417 57.572 58.000 -0.018 0.000 1.420 90 F CB -0.157 38.835 39.000 -0.013 0.000 1.086 90 F HN 0.044 nan 8.300 nan 0.000 0.531 91 G N 0.100 109.039 108.800 0.232 0.000 2.202 91 G HA2 0.220 4.180 3.960 -0.000 0.000 0.251 91 G HA3 0.220 4.180 3.960 -0.000 0.000 0.251 91 G C 1.299 176.291 174.900 0.152 0.000 1.219 91 G CA 0.195 45.380 45.100 0.142 0.000 0.943 91 G HN 0.496 nan 8.290 nan 0.000 0.465 92 G N 2.768 111.628 108.800 0.101 0.000 2.606 92 G HA2 -0.354 3.606 3.960 -0.000 0.000 0.221 92 G HA3 -0.354 3.606 3.960 -0.000 0.000 0.221 92 G C 1.477 176.548 174.900 0.286 0.000 1.152 92 G CA 1.154 46.334 45.100 0.133 0.000 0.765 92 G HN 0.514 nan 8.290 nan 0.000 0.595 93 F N 1.797 121.801 119.950 0.090 0.000 2.069 93 F HA -0.091 4.436 4.527 -0.000 0.000 0.298 93 F C 3.141 179.008 175.800 0.112 0.000 1.113 93 F CA 1.205 59.266 58.000 0.102 0.000 1.214 93 F CB -1.074 37.974 39.000 0.080 0.000 0.978 93 F HN 0.148 nan 8.300 nan 0.000 0.474 94 S N -0.187 115.708 115.700 0.325 0.000 2.402 94 S HA -0.232 4.238 4.470 -0.000 0.000 0.233 94 S C 2.129 176.880 174.600 0.251 0.000 1.030 94 S CA 1.161 59.513 58.200 0.253 0.000 1.003 94 S CB -0.251 63.068 63.200 0.197 0.000 0.813 94 S HN 0.226 nan 8.310 nan 0.000 0.477 95 M N 0.453 120.178 119.600 0.207 0.000 2.077 95 M HA -0.016 4.464 4.480 -0.000 0.000 0.261 95 M C 2.109 178.535 176.300 0.210 0.000 1.070 95 M CA 1.232 56.639 55.300 0.178 0.000 1.125 95 M CB -1.474 31.203 32.600 0.129 0.000 1.339 95 M HN 0.260 nan 8.290 nan 0.000 0.409 96 L N 0.472 121.807 121.223 0.186 0.000 1.963 96 L HA -0.257 4.083 4.340 -0.000 0.000 0.220 96 L C 2.517 179.463 176.870 0.127 0.000 1.076 96 L CA 1.679 56.601 54.840 0.136 0.000 0.772 96 L CB -1.105 41.014 42.059 0.099 0.000 0.892 96 L HN 0.266 nan 8.230 nan 0.000 0.435 97 L N -2.389 118.911 121.223 0.129 0.000 2.064 97 L HA -0.328 4.012 4.340 -0.000 0.000 0.216 97 L C 2.438 179.359 176.870 0.085 0.000 1.077 97 L CA 1.974 56.868 54.840 0.091 0.000 0.766 97 L CB -0.729 41.397 42.059 0.112 0.000 0.890 97 L HN 0.463 nan 8.230 nan 0.000 0.435 98 W N -0.359 120.948 121.300 0.012 0.000 2.441 98 W HA -0.093 4.567 4.660 -0.000 0.000 0.302 98 W C 2.435 178.951 176.519 -0.005 0.000 1.191 98 W CA 0.804 58.144 57.345 -0.008 0.000 1.327 98 W CB -0.222 29.229 29.460 -0.016 0.000 1.128 98 W HN -0.033 nan 8.180 nan 0.000 0.522 99 I N -0.020 120.691 120.570 0.236 0.000 2.454 99 I HA -0.176 3.994 4.170 -0.000 0.000 0.254 99 I C 2.139 178.306 176.117 0.084 0.000 1.156 99 I CA 1.827 63.214 61.300 0.145 0.000 1.433 99 I CB -0.597 37.475 38.000 0.120 0.000 1.082 99 I HN 0.058 nan 8.210 nan 0.000 0.432 100 G N -0.146 108.692 108.800 0.063 0.000 2.473 100 G HA2 -0.142 3.818 3.960 -0.000 0.000 0.212 100 G HA3 -0.142 3.818 3.960 -0.000 0.000 0.212 100 G C 1.685 176.594 174.900 0.015 0.000 1.211 100 G CA 0.515 45.632 45.100 0.029 0.000 0.813 100 G HN 0.473 nan 8.290 nan 0.000 0.541 101 A N 0.078 122.882 122.820 -0.026 0.000 2.186 101 A HA 0.089 4.409 4.320 -0.000 0.000 0.219 101 A C 2.214 179.803 177.584 0.010 0.000 1.159 101 A CA 1.184 53.199 52.037 -0.036 0.000 0.680 101 A CB -0.288 18.617 19.000 -0.158 0.000 0.787 101 A HN 0.437 nan 8.150 nan 0.000 0.467 102 I N -1.359 119.193 120.570 -0.031 0.000 2.628 102 I HA -0.015 4.155 4.170 -0.000 0.000 0.255 102 I C 2.173 178.360 176.117 0.116 0.000 1.119 102 I CA 0.748 62.053 61.300 0.008 0.000 1.448 102 I CB 0.059 38.056 38.000 -0.005 0.000 1.133 102 I HN 0.428 nan 8.210 nan 0.000 0.438 103 L N 0.935 122.206 121.223 0.080 0.000 2.201 103 L HA -0.181 4.159 4.340 -0.000 0.000 0.212 103 L C 2.482 179.394 176.870 0.069 0.000 1.105 103 L CA 1.691 56.573 54.840 0.070 0.000 0.775 103 L CB -0.288 41.799 42.059 0.047 0.000 0.913 103 L HN 0.574 nan 8.230 nan 0.000 0.440 104 C N -2.625 116.718 119.300 0.071 0.000 2.697 104 C HA 0.186 4.646 4.460 -0.000 0.000 0.267 104 C C 1.923 176.957 174.990 0.073 0.000 1.278 104 C CA -0.732 58.313 59.018 0.046 0.000 1.708 104 C CB -1.738 26.006 27.740 0.007 0.000 1.860 104 C HN 0.564 nan 8.230 nan 0.000 0.589 105 F N 0.497 120.435 119.950 -0.021 0.000 2.765 105 F HA 0.359 4.886 4.527 -0.000 0.000 0.302 105 F C 1.669 177.496 175.800 0.045 0.000 1.111 105 F CA 0.227 58.221 58.000 -0.011 0.000 1.359 105 F CB 0.274 39.240 39.000 -0.056 0.000 1.097 105 F HN 0.275 nan 8.300 nan 0.000 0.577 106 L N -0.934 120.389 121.223 0.167 0.000 2.609 106 L HA 0.457 4.797 4.340 -0.000 0.000 0.230 106 L C 2.110 179.021 176.870 0.069 0.000 1.064 106 L CA 1.171 56.087 54.840 0.127 0.000 0.873 106 L CB -0.594 41.528 42.059 0.105 0.000 1.139 106 L HN -0.083 nan 8.230 nan 0.000 0.490 107 A N -0.316 122.536 122.820 0.053 0.000 1.940 107 A HA -0.287 4.032 4.320 -0.000 0.000 0.219 107 A C 2.207 179.810 177.584 0.032 0.000 1.176 107 A CA 2.007 54.062 52.037 0.030 0.000 0.631 107 A CB -1.135 17.878 19.000 0.021 0.000 0.814 107 A HN 0.670 nan 8.150 nan 0.000 0.446 108 Y N 0.709 120.958 120.300 -0.085 0.000 2.181 108 Y HA -0.043 4.507 4.550 -0.000 0.000 0.288 108 Y C 2.331 178.191 175.900 -0.067 0.000 1.146 108 Y CA 1.580 59.620 58.100 -0.100 0.000 1.164 108 Y CB -0.756 37.597 38.460 -0.178 0.000 0.982 108 Y HN 0.184 nan 8.280 nan 0.000 0.515 109 G N 0.632 109.346 108.800 -0.143 0.000 2.421 109 G HA2 -0.165 3.795 3.960 -0.000 0.000 0.217 109 G HA3 -0.165 3.795 3.960 -0.000 0.000 0.217 109 G C 1.538 176.344 174.900 -0.156 0.000 1.143 109 G CA 0.895 45.870 45.100 -0.208 0.000 0.784 109 G HN 0.386 nan 8.290 nan 0.000 0.541 110 I N 0.741 121.258 120.570 -0.087 0.000 2.163 110 I HA -0.141 4.029 4.170 -0.000 0.000 0.240 110 I C 2.676 178.744 176.117 -0.082 0.000 1.081 110 I CA 1.367 62.632 61.300 -0.059 0.000 1.353 110 I CB -1.036 36.947 38.000 -0.028 0.000 1.054 110 I HN 0.292 nan 8.210 nan 0.000 0.407 111 Q N 0.715 120.453 119.800 -0.103 0.000 2.046 111 Q HA -0.116 4.224 4.340 -0.000 0.000 0.200 111 Q C 2.305 178.214 176.000 -0.151 0.000 0.975 111 Q CA 1.991 57.736 55.803 -0.098 0.000 0.836 111 Q CB -0.144 28.554 28.738 -0.067 0.000 0.896 111 Q HN 0.432 nan 8.270 nan 0.000 0.428 112 A N 0.912 123.555 122.820 -0.294 0.000 1.971 112 A HA -0.279 4.040 4.320 -0.000 0.000 0.222 112 A C 2.308 179.776 177.584 -0.192 0.000 1.182 112 A CA 2.016 53.841 52.037 -0.353 0.000 0.649 112 A CB -1.362 17.212 19.000 -0.709 0.000 0.818 112 A HN 0.604 nan 8.150 nan 0.000 0.458 113 A N -1.551 121.179 122.820 -0.149 0.000 2.084 113 A HA -0.052 4.268 4.320 -0.000 0.000 0.221 113 A C 2.138 179.688 177.584 -0.056 0.000 1.161 113 A CA 2.393 54.380 52.037 -0.083 0.000 0.653 113 A CB -0.747 18.219 19.000 -0.058 0.000 0.802 113 A HN 0.538 nan 8.150 nan 0.000 0.457 114 T N -1.777 112.742 114.554 -0.058 0.000 3.252 114 T HA 0.269 4.619 4.350 -0.000 0.000 0.233 114 T C 0.407 175.095 174.700 -0.021 0.000 0.975 114 T CA 0.690 62.773 62.100 -0.028 0.000 1.318 114 T CB 0.055 68.913 68.868 -0.016 0.000 1.014 114 T HN 0.444 nan 8.240 nan 0.000 0.418 115 E N 1.609 121.794 120.200 -0.025 0.000 2.278 115 E HA 0.204 4.554 4.350 -0.000 0.000 0.272 115 E C -1.244 175.342 176.600 -0.024 0.000 0.890 115 E CA -0.521 55.874 56.400 -0.008 0.000 0.770 115 E CB 1.233 30.947 29.700 0.024 0.000 1.212 115 E HN 0.341 nan 8.360 nan 0.000 0.415 116 E N 4.934 125.124 120.200 -0.016 0.000 1.775 116 E HA 0.050 4.400 4.350 -0.000 0.000 0.266 116 E C -0.181 176.435 176.600 0.027 0.000 1.191 116 E CA 0.019 56.416 56.400 -0.004 0.000 1.048 116 E CB 0.682 30.393 29.700 0.018 0.000 1.081 116 E HN 0.454 nan 8.360 nan 0.000 0.434 117 E N 1.939 122.156 120.200 0.028 0.000 2.110 117 E HA 0.132 4.482 4.350 -0.000 0.000 0.194 117 E C -1.493 175.132 176.600 0.043 0.000 0.944 117 E CA 0.123 56.547 56.400 0.042 0.000 0.899 117 E CB -0.896 28.832 29.700 0.047 0.000 0.907 117 E HN 0.395 nan 8.360 nan 0.000 0.473 118 P HA 0.210 nan 4.420 nan 0.000 0.251 118 P C -0.058 177.275 177.300 0.055 0.000 1.718 118 P CA 0.235 63.355 63.100 0.034 0.000 1.119 118 P CB 0.668 32.396 31.700 0.046 0.000 1.762 119 Q N 2.541 122.338 119.800 -0.005 0.000 2.378 119 Q HA -0.012 4.328 4.340 -0.000 0.000 0.229 119 Q C 0.483 176.295 176.000 -0.313 0.000 0.882 119 Q CA 0.650 56.435 55.803 -0.029 0.000 0.936 119 Q CB 0.404 29.146 28.738 0.007 0.000 1.092 119 Q HN 0.241 nan 8.270 nan 0.000 0.535 120 N N 0.223 118.693 118.700 -0.383 0.000 2.356 120 N HA -0.027 4.713 4.740 -0.000 0.000 0.178 120 N C 0.622 175.930 175.510 -0.336 0.000 1.075 120 N CA 0.525 53.149 53.050 -0.709 0.000 0.889 120 N CB 0.011 38.064 38.487 -0.724 0.000 0.999 120 N HN 0.114 nan 8.380 nan 0.000 0.464 121 D N 1.265 121.554 120.400 -0.184 0.000 2.121 121 D HA 0.010 4.649 4.640 -0.000 0.000 0.209 121 D C 1.594 177.845 176.300 -0.083 0.000 0.981 121 D CA 0.953 54.891 54.000 -0.105 0.000 0.875 121 D CB -0.236 40.519 40.800 -0.075 0.000 1.016 121 D HN 0.144 nan 8.370 nan 0.000 0.452 122 N N 1.063 119.721 118.700 -0.071 0.000 2.062 122 N HA -0.112 4.628 4.740 -0.000 0.000 0.191 122 N C 2.005 177.425 175.510 -0.150 0.000 1.042 122 N CA 0.322 53.330 53.050 -0.070 0.000 0.845 122 N CB -0.663 37.823 38.487 -0.003 0.000 1.024 122 N HN 0.111 nan 8.380 nan 0.000 0.424 123 L N 1.172 122.243 121.223 -0.253 0.000 1.990 123 L HA -0.215 4.125 4.340 -0.000 0.000 0.213 123 L C 2.077 178.812 176.870 -0.225 0.000 1.072 123 L CA 1.812 56.352 54.840 -0.501 0.000 0.755 123 L CB -1.210 40.350 42.059 -0.831 0.000 0.889 123 L HN 0.222 nan 8.230 nan 0.000 0.432 124 Y N -0.327 119.803 120.300 -0.284 0.000 2.070 124 Y HA -0.349 4.200 4.550 -0.000 0.000 0.280 124 Y C 2.853 178.661 175.900 -0.152 0.000 1.148 124 Y CA 1.152 59.135 58.100 -0.195 0.000 1.125 124 Y CB -0.164 38.205 38.460 -0.152 0.000 0.975 124 Y HN 0.222 nan 8.280 nan 0.000 0.492 125 L N -0.015 121.227 121.223 0.031 0.000 2.051 125 L HA -0.253 4.087 4.340 -0.000 0.000 0.214 125 L C 2.440 179.295 176.870 -0.025 0.000 1.076 125 L CA 1.915 56.741 54.840 -0.023 0.000 0.758 125 L CB -0.876 41.153 42.059 -0.049 0.000 0.890 125 L HN 0.291 nan 8.230 nan 0.000 0.433 126 G N -1.148 107.642 108.800 -0.017 0.000 2.459 126 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.217 126 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.217 126 G C 1.514 176.502 174.900 0.147 0.000 1.183 126 G CA 0.995 46.172 45.100 0.127 0.000 0.776 126 G HN 0.298 nan 8.290 nan 0.000 0.552 127 V N 0.379 120.363 119.914 0.116 0.000 2.332 127 V HA -0.206 3.914 4.120 -0.000 0.000 0.248 127 V C 3.060 179.116 176.094 -0.063 0.000 1.055 127 V CA 1.620 63.949 62.300 0.049 0.000 1.038 127 V CB -0.413 31.386 31.823 -0.040 0.000 0.651 127 V HN 0.249 nan 8.190 nan 0.000 0.450 128 V N -0.089 119.773 119.914 -0.087 0.000 2.220 128 V HA -0.306 3.814 4.120 -0.000 0.000 0.246 128 V C 2.306 178.348 176.094 -0.086 0.000 1.049 128 V CA 2.435 64.675 62.300 -0.099 0.000 1.003 128 V CB -0.599 31.170 31.823 -0.089 0.000 0.634 128 V HN 0.458 nan 8.190 nan 0.000 0.444 129 L N 0.058 121.235 121.223 -0.078 0.000 2.079 129 L HA -0.210 4.130 4.340 -0.000 0.000 0.210 129 L C 2.718 179.506 176.870 -0.137 0.000 1.081 129 L CA 1.891 56.678 54.840 -0.088 0.000 0.752 129 L CB -0.958 41.053 42.059 -0.080 0.000 0.896 129 L HN 0.478 nan 8.230 nan 0.000 0.433 130 S N 0.293 115.883 115.700 -0.182 0.000 2.365 130 S HA -0.253 4.217 4.470 -0.000 0.000 0.221 130 S C 2.167 176.666 174.600 -0.168 0.000 1.037 130 S CA 1.640 59.664 58.200 -0.293 0.000 1.060 130 S CB -0.181 62.847 63.200 -0.286 0.000 0.974 130 S HN 0.447 nan 8.310 nan 0.000 0.427 131 A N 0.772 123.526 122.820 -0.110 0.000 1.933 131 A HA 0.010 4.330 4.320 -0.000 0.000 0.218 131 A C 2.378 179.941 177.584 -0.035 0.000 1.175 131 A CA 1.719 53.718 52.037 -0.064 0.000 0.628 131 A CB -1.152 17.806 19.000 -0.070 0.000 0.814 131 A HN 0.474 nan 8.150 nan 0.000 0.444 132 V N -0.154 119.731 119.914 -0.049 0.000 2.231 132 V HA -0.329 3.790 4.120 -0.000 0.000 0.250 132 V C 2.595 178.700 176.094 0.018 0.000 1.058 132 V CA 2.369 64.650 62.300 -0.031 0.000 1.022 132 V CB -0.973 30.826 31.823 -0.040 0.000 0.640 132 V HN 0.407 nan 8.190 nan 0.000 0.445 133 V N -0.332 119.610 119.914 0.048 0.000 2.277 133 V HA -0.359 3.760 4.120 -0.000 0.000 0.253 133 V C 2.145 178.345 176.094 0.178 0.000 1.067 133 V CA 2.636 65.033 62.300 0.162 0.000 1.047 133 V CB -0.645 31.357 31.823 0.298 0.000 0.649 133 V HN 0.470 nan 8.190 nan 0.000 0.447 134 I N -0.165 120.488 120.570 0.139 0.000 2.179 134 I HA -0.256 3.914 4.170 -0.000 0.000 0.242 134 I C 2.243 178.454 176.117 0.157 0.000 1.088 134 I CA 1.993 63.384 61.300 0.153 0.000 1.357 134 I CB -0.273 37.778 38.000 0.084 0.000 1.051 134 I HN 0.310 nan 8.210 nan 0.000 0.409 135 I N -0.893 119.731 120.570 0.090 0.000 2.233 135 I HA -0.186 3.984 4.170 -0.000 0.000 0.243 135 I C 2.459 178.625 176.117 0.082 0.000 1.093 135 I CA 1.404 62.754 61.300 0.083 0.000 1.380 135 I CB -1.663 36.323 38.000 -0.024 0.000 1.067 135 I HN 0.151 nan 8.210 nan 0.000 0.413 136 T N 1.724 116.297 114.554 0.031 0.000 2.721 136 T HA -0.163 4.187 4.350 -0.000 0.000 0.268 136 T C 2.033 176.832 174.700 0.164 0.000 1.038 136 T CA 1.717 63.840 62.100 0.038 0.000 1.145 136 T CB -0.976 67.926 68.868 0.057 0.000 0.858 136 T HN 0.647 nan 8.240 nan 0.000 0.459 137 G N 0.635 109.555 108.800 0.200 0.000 2.446 137 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.217 137 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.217 137 G C 1.901 176.968 174.900 0.278 0.000 1.168 137 G CA 1.119 46.362 45.100 0.237 0.000 0.771 137 G HN 0.583 nan 8.290 nan 0.000 0.551 138 C N 0.017 119.525 119.300 0.345 0.000 2.398 138 C HA -0.062 4.398 4.460 -0.000 0.000 0.276 138 C C 2.532 177.811 174.990 0.482 0.000 1.222 138 C CA 0.532 59.800 59.018 0.417 0.000 1.746 138 C CB -1.437 26.548 27.740 0.408 0.000 2.039 138 C HN 0.448 nan 8.230 nan 0.000 0.470 139 F N 0.429 120.471 119.950 0.153 0.000 2.546 139 F HA -0.116 4.411 4.527 -0.000 0.000 0.298 139 F C 2.580 178.551 175.800 0.284 0.000 1.120 139 F CA 0.845 58.958 58.000 0.188 0.000 1.456 139 F CB -0.106 38.947 39.000 0.088 0.000 1.088 139 F HN 0.172 nan 8.300 nan 0.000 0.572 140 S N -1.708 114.210 115.700 0.363 0.000 2.483 140 S HA -0.072 4.398 4.470 -0.000 0.000 0.221 140 S C 1.486 176.155 174.600 0.115 0.000 1.030 140 S CA -0.082 58.240 58.200 0.204 0.000 0.925 140 S CB -0.072 63.224 63.200 0.160 0.000 0.795 140 S HN 0.513 nan 8.310 nan 0.000 0.511 141 Y N 0.882 121.184 120.300 0.004 0.000 2.397 141 Y HA 0.035 4.585 4.550 -0.000 0.000 0.292 141 Y C 1.848 177.725 175.900 -0.038 0.000 1.115 141 Y CA 0.927 58.934 58.100 -0.155 0.000 1.208 141 Y CB -0.282 37.853 38.460 -0.543 0.000 1.046 141 Y HN 0.450 nan 8.280 nan 0.000 0.552 142 Y N -0.103 120.186 120.300 -0.018 0.000 2.509 142 Y HA -0.009 4.541 4.550 -0.000 0.000 0.293 142 Y C 2.017 177.803 175.900 -0.190 0.000 1.133 142 Y CA 0.983 59.027 58.100 -0.092 0.000 1.283 142 Y CB -0.289 38.154 38.460 -0.027 0.000 1.001 142 Y HN 0.149 nan 8.280 nan 0.000 0.555 143 Q N 1.488 120.980 119.800 -0.512 0.000 1.969 143 Q HA -0.154 4.186 4.340 -0.000 0.000 0.198 143 Q C 1.835 177.574 176.000 -0.433 0.000 0.978 143 Q CA 2.034 57.492 55.803 -0.576 0.000 0.830 143 Q CB -0.421 28.177 28.738 -0.235 0.000 0.896 143 Q HN 0.493 nan 8.270 nan 0.000 0.431 144 E N -0.677 119.316 120.200 -0.346 0.000 2.461 144 E HA 0.073 4.423 4.350 -0.000 0.000 0.196 144 E C 0.459 176.835 176.600 -0.373 0.000 1.129 144 E CA 0.647 56.867 56.400 -0.301 0.000 0.902 144 E CB -0.256 29.308 29.700 -0.227 0.000 0.963 144 E HN 0.366 nan 8.360 nan 0.000 0.503 145 A N 0.112 122.654 122.820 -0.463 0.000 1.969 145 A HA 0.115 4.435 4.320 -0.000 0.000 0.205 145 A C 1.774 179.195 177.584 -0.271 0.000 1.364 145 A CA 0.116 51.911 52.037 -0.402 0.000 0.756 145 A CB 0.084 18.782 19.000 -0.504 0.000 0.988 145 A HN 0.047 nan 8.150 nan 0.000 0.490 146 K N 0.553 120.763 120.400 -0.317 0.000 2.148 146 K HA -0.012 4.308 4.320 -0.000 0.000 0.204 146 K C 2.135 178.615 176.600 -0.199 0.000 1.050 146 K CA 1.251 57.391 56.287 -0.245 0.000 0.942 146 K CB -0.584 31.722 32.500 -0.324 0.000 0.724 146 K HN 0.385 nan 8.250 nan 0.000 0.446 147 S N 1.027 116.593 115.700 -0.223 0.000 2.356 147 S HA -0.105 4.365 4.470 -0.000 0.000 0.223 147 S C 2.017 176.555 174.600 -0.104 0.000 1.032 147 S CA 1.523 59.632 58.200 -0.152 0.000 1.005 147 S CB -0.039 63.066 63.200 -0.158 0.000 0.867 147 S HN 0.281 nan 8.310 nan 0.000 0.449 148 S N 1.570 117.197 115.700 -0.122 0.000 2.354 148 S HA -0.077 4.393 4.470 -0.000 0.000 0.219 148 S C 1.926 176.488 174.600 -0.062 0.000 1.035 148 S CA 1.112 59.260 58.200 -0.086 0.000 1.037 148 S CB -0.401 62.736 63.200 -0.106 0.000 0.956 148 S HN 0.347 nan 8.310 nan 0.000 0.428 149 K N 0.987 121.339 120.400 -0.080 0.000 2.209 149 K HA 0.121 4.441 4.320 -0.000 0.000 0.204 149 K C 1.688 178.245 176.600 -0.072 0.000 1.048 149 K CA 0.543 56.788 56.287 -0.070 0.000 0.940 149 K CB -0.539 31.918 32.500 -0.072 0.000 0.729 149 K HN 0.314 nan 8.250 nan 0.000 0.451 150 I N 0.175 120.704 120.570 -0.068 0.000 2.928 150 I HA -0.040 4.130 4.170 -0.000 0.000 0.266 150 I C 1.822 177.942 176.117 0.004 0.000 1.234 150 I CA 0.830 62.094 61.300 -0.059 0.000 1.483 150 I CB -0.451 37.519 38.000 -0.050 0.000 1.097 150 I HN 0.156 nan 8.210 nan 0.000 0.455 151 M N -0.683 118.948 119.600 0.053 0.000 2.367 151 M HA 0.046 4.526 4.480 -0.000 0.000 0.256 151 M C 1.472 177.881 176.300 0.182 0.000 1.091 151 M CA 0.420 55.845 55.300 0.209 0.000 1.049 151 M CB 0.360 33.028 32.600 0.113 0.000 1.406 151 M HN -0.020 nan 8.290 nan 0.000 0.498 152 E N -0.004 120.219 120.200 0.039 0.000 2.230 152 E HA 0.014 4.364 4.350 -0.000 0.000 0.192 152 E C 1.646 178.232 176.600 -0.024 0.000 0.987 152 E CA 0.649 57.059 56.400 0.016 0.000 0.841 152 E CB 0.086 29.774 29.700 -0.020 0.000 0.783 152 E HN 0.386 nan 8.360 nan 0.000 0.481 153 S N 0.712 116.335 115.700 -0.130 0.000 2.500 153 S HA -0.057 4.413 4.470 -0.000 0.000 0.239 153 S C 1.391 175.829 174.600 -0.270 0.000 0.989 153 S CA 0.638 58.700 58.200 -0.230 0.000 0.951 153 S CB -0.197 62.797 63.200 -0.342 0.000 0.759 153 S HN 0.152 nan 8.310 nan 0.000 0.523 154 F N 1.456 121.389 119.950 -0.028 0.000 2.148 154 F HA 0.199 4.726 4.527 -0.000 0.000 0.285 154 F C 1.434 177.221 175.800 -0.021 0.000 1.092 154 F CA 0.335 58.321 58.000 -0.024 0.000 1.218 154 F CB -0.364 38.620 39.000 -0.027 0.000 1.059 154 F HN -0.036 nan 8.300 nan 0.000 0.490 155 K N 1.612 122.122 120.400 0.183 0.000 2.034 155 K HA -0.047 4.273 4.320 -0.000 0.000 0.225 155 K C -0.246 176.381 176.600 0.044 0.000 1.190 155 K CA 0.357 56.696 56.287 0.087 0.000 1.152 155 K CB -0.778 31.760 32.500 0.062 0.000 1.300 155 K HN 0.098 nan 8.250 nan 0.000 0.268 156 N N 3.210 121.932 118.700 0.036 0.000 2.475 156 N HA 0.078 4.818 4.740 -0.000 0.000 0.272 156 N C -0.521 174.999 175.510 0.017 0.000 1.482 156 N CA -0.268 52.792 53.050 0.017 0.000 0.863 156 N CB 0.371 38.859 38.487 0.001 0.000 1.400 156 N HN 0.427 nan 8.380 nan 0.000 0.489 157 M N -0.571 119.044 119.600 0.025 0.000 2.088 157 M HA 0.595 5.075 4.480 -0.000 0.000 0.197 157 M C 0.043 176.356 176.300 0.021 0.000 1.105 157 M CA -0.716 54.598 55.300 0.023 0.000 1.275 157 M CB -0.734 31.883 32.600 0.028 0.000 1.111 157 M HN -0.177 nan 8.290 nan 0.000 0.664 158 V N -0.562 119.365 119.914 0.022 0.000 2.716 158 V HA 0.316 4.436 4.120 -0.000 0.000 0.284 158 V C -2.593 173.516 176.094 0.025 0.000 1.129 158 V CA -1.488 60.824 62.300 0.021 0.000 0.926 158 V CB 0.585 32.418 31.823 0.017 0.000 1.051 158 V HN 0.726 nan 8.190 nan 0.000 0.458 159 P HA 0.244 nan 4.420 nan 0.000 0.267 159 P C -0.110 177.209 177.300 0.031 0.000 1.195 159 P CA 0.140 63.262 63.100 0.038 0.000 0.773 159 P CB 0.563 32.287 31.700 0.041 0.000 0.837 160 Q N 0.157 119.978 119.800 0.034 0.000 2.633 160 Q HA 0.411 4.751 4.340 -0.000 0.000 0.208 160 Q C -0.372 175.644 176.000 0.028 0.000 1.010 160 Q CA -0.983 54.836 55.803 0.028 0.000 0.982 160 Q CB 0.689 29.443 28.738 0.027 0.000 1.334 160 Q HN 0.432 nan 8.270 nan 0.000 0.508 161 Q N -0.279 119.536 119.800 0.024 0.000 2.266 161 Q HA 0.733 5.073 4.340 -0.000 0.000 0.261 161 Q C -1.235 174.780 176.000 0.025 0.000 0.985 161 Q CA -0.837 54.979 55.803 0.022 0.000 0.873 161 Q CB 1.642 30.390 28.738 0.017 0.000 1.306 161 Q HN 0.549 nan 8.270 nan 0.000 0.447 162 A N 1.631 124.465 122.820 0.024 0.000 2.281 162 A HA 0.656 4.976 4.320 -0.000 0.000 0.329 162 A C -1.187 176.409 177.584 0.020 0.000 1.122 162 A CA -0.655 51.397 52.037 0.026 0.000 0.850 162 A CB 0.874 19.891 19.000 0.029 0.000 1.207 162 A HN 0.553 nan 8.150 nan 0.000 0.495 163 L N 1.814 123.049 121.223 0.020 0.000 2.295 163 L HA 0.528 4.868 4.340 -0.000 0.000 0.281 163 L C -0.136 176.744 176.870 0.016 0.000 1.018 163 L CA -0.204 54.647 54.840 0.017 0.000 0.841 163 L CB 1.150 43.219 42.059 0.017 0.000 1.218 163 L HN 0.681 nan 8.230 nan 0.000 0.424 164 V N 2.563 122.486 119.914 0.014 0.000 2.881 164 V HA 0.669 4.789 4.120 -0.000 0.000 0.316 164 V C -0.307 175.796 176.094 0.014 0.000 1.070 164 V CA -0.749 61.560 62.300 0.014 0.000 0.976 164 V CB 2.349 34.179 31.823 0.011 0.000 1.038 164 V HN 0.411 nan 8.190 nan 0.000 0.446 165 I N 2.646 123.226 120.570 0.017 0.000 2.371 165 I HA 0.567 4.737 4.170 -0.000 0.000 0.282 165 I C -0.105 176.024 176.117 0.019 0.000 1.031 165 I CA -0.234 61.077 61.300 0.018 0.000 1.180 165 I CB 0.833 38.847 38.000 0.023 0.000 1.336 165 I HN 0.747 nan 8.210 nan 0.000 0.467 166 R N 5.368 125.877 120.500 0.015 0.000 2.409 166 R HA 0.407 4.747 4.340 -0.000 0.000 0.313 166 R C -0.075 176.233 176.300 0.013 0.000 0.953 166 R CA -0.606 55.502 56.100 0.013 0.000 0.849 166 R CB 1.008 31.314 30.300 0.009 0.000 1.171 166 R HN 0.458 nan 8.270 nan 0.000 0.458 167 N N 1.691 120.399 118.700 0.014 0.000 2.818 167 N HA -0.168 4.571 4.740 -0.000 0.000 0.250 167 N C 0.665 176.183 175.510 0.014 0.000 1.108 167 N CA 1.499 54.556 53.050 0.013 0.000 0.745 167 N CB -0.979 37.513 38.487 0.009 0.000 1.104 167 N HN 1.081 nan 8.380 nan 0.000 0.557 168 G N -1.270 107.541 108.800 0.018 0.000 2.234 168 G HA2 -0.324 3.636 3.960 -0.000 0.000 0.260 168 G HA3 -0.324 3.636 3.960 -0.000 0.000 0.260 168 G C -0.217 174.692 174.900 0.015 0.000 0.987 168 G CA 0.652 45.763 45.100 0.018 0.000 0.625 168 G HN 0.432 nan 8.290 nan 0.000 0.532 169 E N 1.217 121.425 120.200 0.013 0.000 2.227 169 E HA 0.366 4.716 4.350 -0.000 0.000 0.282 169 E C 0.461 177.068 176.600 0.012 0.000 1.015 169 E CA -0.372 56.035 56.400 0.011 0.000 0.823 169 E CB 0.988 30.694 29.700 0.010 0.000 1.081 169 E HN 0.685 nan 8.360 nan 0.000 0.396 170 K N 3.095 123.502 120.400 0.012 0.000 2.156 170 K HA 0.578 4.898 4.320 -0.000 0.000 0.271 170 K C 0.024 176.631 176.600 0.011 0.000 0.995 170 K CA -0.412 55.882 56.287 0.012 0.000 0.890 170 K CB 1.160 33.667 32.500 0.012 0.000 1.073 170 K HN 0.300 nan 8.250 nan 0.000 0.454 171 M N 0.938 120.545 119.600 0.011 0.000 2.664 171 M HA 0.300 4.780 4.480 -0.000 0.000 0.279 171 M C -1.001 175.306 176.300 0.011 0.000 1.275 171 M CA -1.076 54.230 55.300 0.010 0.000 0.829 171 M CB 2.370 34.975 32.600 0.009 0.000 1.727 171 M HN 0.812 nan 8.290 nan 0.000 0.459 172 S N 1.623 117.329 115.700 0.011 0.000 2.482 172 S HA 0.935 5.405 4.470 -0.000 0.000 0.303 172 S C -0.649 173.958 174.600 0.010 0.000 1.091 172 S CA -0.730 57.477 58.200 0.012 0.000 1.057 172 S CB 1.597 64.805 63.200 0.012 0.000 1.031 172 S HN 0.759 nan 8.310 nan 0.000 0.485 173 I N -0.896 119.681 120.570 0.011 0.000 3.279 173 I HA 0.625 4.795 4.170 -0.000 0.000 0.315 173 I C -0.774 175.350 176.117 0.011 0.000 1.187 173 I CA -1.282 60.023 61.300 0.009 0.000 0.953 173 I CB 1.674 39.678 38.000 0.007 0.000 1.279 173 I HN 0.608 nan 8.210 nan 0.000 0.465 174 N N 2.075 120.781 118.700 0.009 0.000 2.412 174 N HA 0.099 4.839 4.740 -0.000 0.000 0.258 174 N C 0.901 176.416 175.510 0.010 0.000 1.236 174 N CA 0.987 54.043 53.050 0.009 0.000 0.882 174 N CB 1.514 40.004 38.487 0.005 0.000 1.066 174 N HN 0.812 nan 8.380 nan 0.000 0.465 175 A N 3.938 126.768 122.820 0.016 0.000 2.076 175 A HA -0.150 4.170 4.320 -0.000 0.000 0.220 175 A C 1.667 179.253 177.584 0.003 0.000 1.160 175 A CA 1.360 53.409 52.037 0.019 0.000 0.653 175 A CB -0.438 18.584 19.000 0.037 0.000 0.801 175 A HN 0.888 nan 8.150 nan 0.000 0.455 176 E N -0.420 119.778 120.200 -0.003 0.000 2.418 176 E HA -0.115 4.234 4.350 -0.000 0.000 0.197 176 E C 1.262 177.852 176.600 -0.016 0.000 1.026 176 E CA 0.795 57.186 56.400 -0.015 0.000 0.862 176 E CB -0.027 29.665 29.700 -0.013 0.000 0.799 176 E HN 0.751 nan 8.360 nan 0.000 0.518 177 E N 0.376 120.570 120.200 -0.010 0.000 2.474 177 E HA 0.029 4.378 4.350 -0.000 0.000 0.194 177 E C -0.100 176.493 176.600 -0.013 0.000 1.041 177 E CA -0.132 56.262 56.400 -0.010 0.000 0.874 177 E CB 0.742 30.439 29.700 -0.005 0.000 0.914 177 E HN -0.035 nan 8.360 nan 0.000 0.498 178 V N 2.838 122.744 119.914 -0.013 0.000 2.485 178 V HA 0.006 4.126 4.120 -0.000 0.000 0.287 178 V C 0.347 176.424 176.094 -0.029 0.000 1.022 178 V CA -0.029 62.261 62.300 -0.016 0.000 1.067 178 V CB 0.552 32.369 31.823 -0.009 0.000 0.967 178 V HN -0.082 nan 8.190 nan 0.000 0.479 179 V N 4.808 124.701 119.914 -0.035 0.000 3.096 179 V HA 0.434 4.554 4.120 -0.000 0.000 0.319 179 V C 0.147 176.193 176.094 -0.081 0.000 1.103 179 V CA -1.038 61.232 62.300 -0.050 0.000 1.016 179 V CB 1.830 33.627 31.823 -0.042 0.000 1.090 179 V HN 0.452 nan 8.190 nan 0.000 0.449 180 V N 2.242 122.088 119.914 -0.113 0.000 2.324 180 V HA 0.523 4.643 4.120 -0.000 0.000 0.244 180 V C 1.222 177.158 176.094 -0.265 0.000 1.144 180 V CA 1.458 63.628 62.300 -0.216 0.000 1.158 180 V CB -0.855 30.822 31.823 -0.244 0.000 1.254 180 V HN 1.309 nan 8.190 nan 0.000 0.492 181 G N 3.619 112.293 108.800 -0.209 0.000 3.509 181 G HA2 -0.089 3.871 3.960 -0.000 0.000 0.220 181 G HA3 -0.089 3.871 3.960 -0.000 0.000 0.220 181 G C -0.215 174.673 174.900 -0.019 0.000 0.951 181 G CA -0.153 44.876 45.100 -0.117 0.000 0.844 181 G HN 0.702 nan 8.290 nan 0.000 0.568 182 D N 0.890 121.274 120.400 -0.028 0.000 2.329 182 D HA 0.561 5.201 4.640 -0.000 0.000 0.246 182 D C 0.182 176.491 176.300 0.015 0.000 1.111 182 D CA -0.790 53.211 54.000 0.002 0.000 0.941 182 D CB 1.394 42.191 40.800 -0.004 0.000 1.169 182 D HN 0.143 nan 8.370 nan 0.000 0.441 183 L N 0.909 122.149 121.223 0.028 0.000 2.349 183 L HA 0.382 4.722 4.340 -0.000 0.000 0.275 183 L C -0.902 175.980 176.870 0.021 0.000 1.115 183 L CA -0.327 54.532 54.840 0.032 0.000 0.820 183 L CB 1.164 43.246 42.059 0.039 0.000 1.135 183 L HN 0.332 nan 8.230 nan 0.000 0.445 184 V N 4.870 124.796 119.914 0.020 0.000 2.531 184 V HA 0.401 4.521 4.120 -0.000 0.000 0.301 184 V C -0.444 175.661 176.094 0.019 0.000 1.034 184 V CA -0.765 61.546 62.300 0.018 0.000 0.865 184 V CB 1.714 33.548 31.823 0.018 0.000 0.995 184 V HN 0.797 nan 8.190 nan 0.000 0.424 185 E N 4.156 124.367 120.200 0.018 0.000 2.092 185 E HA 0.591 4.941 4.350 -0.000 0.000 0.271 185 E C -0.801 175.810 176.600 0.018 0.000 0.919 185 E CA -0.495 55.916 56.400 0.017 0.000 0.760 185 E CB 1.843 31.552 29.700 0.016 0.000 1.106 185 E HN 0.651 nan 8.360 nan 0.000 0.408 186 V N 2.266 122.191 119.914 0.018 0.000 2.732 186 V HA 0.713 4.833 4.120 -0.000 0.000 0.310 186 V C -0.648 175.456 176.094 0.017 0.000 1.053 186 V CA -0.519 61.793 62.300 0.020 0.000 0.957 186 V CB 1.461 33.297 31.823 0.022 0.000 1.018 186 V HN 0.806 nan 8.190 nan 0.000 0.452 187 K N 2.240 122.650 120.400 0.016 0.000 2.283 187 K HA 0.785 5.105 4.320 -0.000 0.000 0.257 187 K C 0.050 176.658 176.600 0.013 0.000 1.066 187 K CA -0.493 55.803 56.287 0.014 0.000 0.891 187 K CB 1.500 34.008 32.500 0.013 0.000 1.438 187 K HN 1.021 nan 8.250 nan 0.000 0.464 188 G N -0.677 108.129 108.800 0.011 0.000 2.439 188 G HA2 0.436 4.395 3.960 -0.000 0.000 0.298 188 G HA3 0.436 4.395 3.960 -0.000 0.000 0.298 188 G C 0.523 175.428 174.900 0.008 0.000 1.044 188 G CA 0.285 45.390 45.100 0.009 0.000 1.168 188 G HN 0.945 nan 8.290 nan 0.000 0.433 189 G N 2.852 111.657 108.800 0.009 0.000 3.709 189 G HA2 -0.163 3.797 3.960 -0.000 0.000 0.196 189 G HA3 -0.163 3.797 3.960 -0.000 0.000 0.196 189 G C 0.342 175.248 174.900 0.010 0.000 1.177 189 G CA 0.290 45.395 45.100 0.009 0.000 0.906 189 G HN 0.949 nan 8.290 nan 0.000 0.416 190 D N 0.817 121.225 120.400 0.013 0.000 2.398 190 D HA 0.625 5.265 4.640 -0.000 0.000 0.264 190 D C 0.771 177.080 176.300 0.014 0.000 1.263 190 D CA -0.239 53.771 54.000 0.015 0.000 1.037 190 D CB 0.361 41.173 40.800 0.020 0.000 1.101 190 D HN 0.804 nan 8.370 nan 0.000 0.551 191 R N -1.593 118.918 120.500 0.019 0.000 2.930 191 R HA 0.532 4.872 4.340 -0.000 0.000 0.257 191 R C -0.551 175.771 176.300 0.037 0.000 1.107 191 R CA -1.106 55.004 56.100 0.016 0.000 0.999 191 R CB 0.659 30.960 30.300 0.003 0.000 1.209 191 R HN 0.314 nan 8.270 nan 0.000 0.486 192 I N 2.263 122.859 120.570 0.042 0.000 2.406 192 I HA 0.118 4.288 4.170 -0.000 0.000 0.293 192 I C -1.711 174.497 176.117 0.152 0.000 1.101 192 I CA -2.651 58.698 61.300 0.081 0.000 1.334 192 I CB 0.411 38.462 38.000 0.085 0.000 1.421 192 I HN 0.505 nan 8.210 nan 0.000 0.513 193 P HA -0.076 nan 4.420 nan 0.000 0.216 193 P C 0.368 177.772 177.300 0.174 0.000 1.150 193 P CA 1.277 64.461 63.100 0.140 0.000 0.837 193 P CB 0.552 32.297 31.700 0.075 0.000 0.786 194 A N -2.094 120.823 122.820 0.161 0.000 2.493 194 A HA 0.436 4.756 4.320 -0.000 0.000 0.300 194 A C -1.578 176.100 177.584 0.157 0.000 1.152 194 A CA -0.644 51.475 52.037 0.137 0.000 0.643 194 A CB 0.092 19.115 19.000 0.038 0.000 1.316 194 A HN -0.256 nan 8.150 nan 0.000 0.469 195 D N 1.083 121.574 120.400 0.152 0.000 2.343 195 D HA 0.526 5.165 4.640 -0.000 0.000 0.255 195 D C -0.487 175.829 176.300 0.027 0.000 1.187 195 D CA 0.772 54.852 54.000 0.133 0.000 0.875 195 D CB 0.543 41.505 40.800 0.270 0.000 1.136 195 D HN 0.413 nan 8.370 nan 0.000 0.469 196 L N 2.031 123.230 121.223 -0.040 0.000 2.319 196 L HA 0.537 4.877 4.340 -0.000 0.000 0.267 196 L C 0.398 177.221 176.870 -0.079 0.000 1.011 196 L CA -1.019 53.792 54.840 -0.048 0.000 0.818 196 L CB 1.918 43.960 42.059 -0.027 0.000 1.316 196 L HN 0.022 nan 8.230 nan 0.000 0.432 197 R N 3.055 123.538 120.500 -0.029 0.000 2.363 197 R HA 0.351 4.690 4.340 -0.000 0.000 0.297 197 R C -0.677 175.631 176.300 0.013 0.000 1.208 197 R CA -0.877 55.220 56.100 -0.004 0.000 1.121 197 R CB 0.313 30.639 30.300 0.044 0.000 1.124 197 R HN 0.445 nan 8.270 nan 0.000 0.561 198 I N 6.003 126.574 120.570 0.002 0.000 2.948 198 I HA -0.151 4.019 4.170 -0.000 0.000 0.303 198 I C 1.722 177.851 176.117 0.020 0.000 1.224 198 I CA 0.753 62.060 61.300 0.011 0.000 1.442 198 I CB 0.097 38.103 38.000 0.011 0.000 1.328 198 I HN 0.626 nan 8.210 nan 0.000 0.578 199 I N 0.985 121.563 120.570 0.014 0.000 4.557 199 I HA 0.324 4.494 4.170 -0.000 0.000 0.333 199 I C 0.360 176.477 176.117 0.000 0.000 1.332 199 I CA -0.019 61.283 61.300 0.004 0.000 1.240 199 I CB 0.995 38.991 38.000 -0.007 0.000 1.312 199 I HN 0.471 nan 8.210 nan 0.000 0.457 200 S N 1.231 116.934 115.700 0.006 0.000 2.548 200 S HA 0.840 5.310 4.470 -0.000 0.000 0.278 200 S C -1.380 173.225 174.600 0.009 0.000 1.150 200 S CA 0.192 58.394 58.200 0.005 0.000 0.907 200 S CB 1.866 65.067 63.200 0.002 0.000 1.108 200 S HN 0.667 nan 8.310 nan 0.000 0.459 201 A N 3.798 126.624 122.820 0.010 0.000 2.530 201 A HA 0.655 4.975 4.320 -0.000 0.000 0.297 201 A C -1.808 175.783 177.584 0.012 0.000 1.059 201 A CA -0.798 51.246 52.037 0.012 0.000 0.782 201 A CB 1.154 20.163 19.000 0.015 0.000 1.301 201 A HN 0.621 nan 8.150 nan 0.000 0.394 202 N N 1.336 120.044 118.700 0.013 0.000 2.564 202 N HA 0.499 5.238 4.740 -0.000 0.000 0.248 202 N C 0.525 176.047 175.510 0.020 0.000 0.986 202 N CA 0.716 53.774 53.050 0.014 0.000 0.921 202 N CB 1.618 40.112 38.487 0.011 0.000 1.136 202 N HN 1.783 nan 8.380 nan 0.000 0.509 203 G N 1.588 110.403 108.800 0.025 0.000 2.371 203 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.299 203 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.299 203 G C 0.066 174.982 174.900 0.027 0.000 1.014 203 G CA -0.045 45.075 45.100 0.034 0.000 1.097 203 G HN 0.646 nan 8.290 nan 0.000 0.512 204 C N 0.836 120.150 119.300 0.024 0.000 2.239 204 C HA 0.776 5.236 4.460 -0.000 0.000 0.325 204 C C 0.559 175.563 174.990 0.023 0.000 1.231 204 C CA -0.992 58.039 59.018 0.021 0.000 1.652 204 C CB 0.128 27.880 27.740 0.020 0.000 2.284 204 C HN 0.600 nan 8.230 nan 0.000 0.499 205 K N 2.775 123.187 120.400 0.020 0.000 2.211 205 K HA 0.894 5.214 4.320 -0.000 0.000 0.237 205 K C -0.777 175.836 176.600 0.022 0.000 1.002 205 K CA -0.442 55.858 56.287 0.021 0.000 0.885 205 K CB 1.825 34.332 32.500 0.012 0.000 1.136 205 K HN 0.487 nan 8.250 nan 0.000 0.448 206 V N -0.295 119.636 119.914 0.027 0.000 3.253 206 V HA 0.349 4.469 4.120 -0.000 0.000 0.300 206 V C -1.983 174.126 176.094 0.025 0.000 1.398 206 V CA -0.726 61.592 62.300 0.030 0.000 1.067 206 V CB 2.414 34.265 31.823 0.047 0.000 1.102 206 V HN 0.835 nan 8.190 nan 0.000 0.455 207 D N 1.898 122.308 120.400 0.017 0.000 2.453 207 D HA 0.389 5.029 4.640 -0.000 0.000 0.238 207 D C -0.593 175.704 176.300 -0.005 0.000 1.088 207 D CA -0.250 53.751 54.000 0.001 0.000 0.854 207 D CB 0.907 41.699 40.800 -0.014 0.000 1.076 207 D HN 0.486 nan 8.370 nan 0.000 0.533 208 N N 1.534 120.229 118.700 -0.007 0.000 2.575 208 N HA -0.018 4.722 4.740 -0.000 0.000 0.275 208 N C 0.872 176.336 175.510 -0.077 0.000 1.202 208 N CA -0.010 53.018 53.050 -0.037 0.000 0.945 208 N CB 0.465 38.934 38.487 -0.031 0.000 1.247 208 N HN 0.289 nan 8.380 nan 0.000 0.510 209 S N -2.288 113.370 115.700 -0.071 0.000 2.710 209 S HA 0.170 4.639 4.470 -0.000 0.000 0.224 209 S C 1.106 175.649 174.600 -0.096 0.000 0.948 209 S CA -0.116 58.036 58.200 -0.080 0.000 0.949 209 S CB 0.140 63.302 63.200 -0.064 0.000 0.778 209 S HN 0.020 nan 8.310 nan 0.000 0.498 210 S N 0.109 115.740 115.700 -0.113 0.000 2.554 210 S HA 0.372 4.842 4.470 -0.000 0.000 0.227 210 S C 0.924 175.437 174.600 -0.146 0.000 1.050 210 S CA -0.154 57.970 58.200 -0.127 0.000 0.927 210 S CB 0.125 63.236 63.200 -0.148 0.000 0.859 210 S HN 0.362 nan 8.310 nan 0.000 0.494 211 L N 1.076 122.192 121.223 -0.179 0.000 2.453 211 L HA 0.217 4.557 4.340 -0.000 0.000 0.190 211 L C 2.508 179.258 176.870 -0.200 0.000 1.093 211 L CA 1.435 56.137 54.840 -0.230 0.000 0.834 211 L CB -1.305 40.519 42.059 -0.392 0.000 1.090 211 L HN 0.354 nan 8.230 nan 0.000 0.489 212 T N -2.896 111.541 114.554 -0.195 0.000 3.065 212 T HA 0.230 4.580 4.350 -0.000 0.000 0.252 212 T C 1.410 176.014 174.700 -0.160 0.000 1.099 212 T CA 0.401 62.388 62.100 -0.188 0.000 1.063 212 T CB -0.249 68.498 68.868 -0.201 0.000 0.948 212 T HN 0.419 nan 8.240 nan 0.000 0.506 213 G N 1.252 109.973 108.800 -0.132 0.000 2.323 213 G HA2 -0.194 3.766 3.960 -0.000 0.000 0.292 213 G HA3 -0.194 3.766 3.960 -0.000 0.000 0.292 213 G C -0.320 174.521 174.900 -0.098 0.000 1.040 213 G CA 0.094 45.130 45.100 -0.107 0.000 0.942 213 G HN 0.586 nan 8.290 nan 0.000 0.506 214 E N 0.031 120.175 120.200 -0.094 0.000 2.182 214 E HA 0.523 4.873 4.350 -0.000 0.000 0.258 214 E C 1.338 177.913 176.600 -0.041 0.000 0.879 214 E CA 0.035 56.393 56.400 -0.070 0.000 0.754 214 E CB 1.086 30.736 29.700 -0.084 0.000 1.162 214 E HN 0.326 nan 8.360 nan 0.000 0.419 215 S N 3.008 118.688 115.700 -0.034 0.000 2.355 215 S HA -0.166 4.304 4.470 -0.000 0.000 0.222 215 S C 0.661 175.255 174.600 -0.010 0.000 1.031 215 S CA 0.701 58.886 58.200 -0.025 0.000 0.993 215 S CB -0.607 62.577 63.200 -0.027 0.000 0.859 215 S HN 0.570 nan 8.310 nan 0.000 0.453 216 E N 4.190 124.390 120.200 -0.001 0.000 2.694 216 E HA 0.090 4.440 4.350 -0.000 0.000 0.250 216 E C -2.309 174.301 176.600 0.016 0.000 0.963 216 E CA -1.471 54.935 56.400 0.010 0.000 0.949 216 E CB -0.484 29.230 29.700 0.023 0.000 0.911 216 E HN 0.275 nan 8.360 nan 0.000 0.500 217 P HA -0.132 nan 4.420 nan 0.000 0.267 217 P C -0.775 176.542 177.300 0.030 0.000 1.195 217 P CA 0.543 63.652 63.100 0.014 0.000 0.773 217 P CB 0.437 32.139 31.700 0.004 0.000 0.837 218 Q N 0.856 120.679 119.800 0.039 0.000 2.320 218 Q HA 0.238 4.578 4.340 -0.000 0.000 0.268 218 Q C -0.267 175.763 176.000 0.050 0.000 1.023 218 Q CA -0.403 55.432 55.803 0.054 0.000 0.744 218 Q CB 1.177 29.960 28.738 0.076 0.000 1.246 218 Q HN 0.344 nan 8.270 nan 0.000 0.462 219 T N 3.080 117.659 114.554 0.041 0.000 2.946 219 T HA 0.078 4.427 4.350 -0.000 0.000 0.312 219 T C 0.259 174.983 174.700 0.040 0.000 1.066 219 T CA 0.170 62.291 62.100 0.036 0.000 1.138 219 T CB 0.362 69.249 68.868 0.031 0.000 1.014 219 T HN 0.124 nan 8.240 nan 0.000 0.544 220 R N 2.357 122.877 120.500 0.034 0.000 2.360 220 R HA 0.490 4.830 4.340 -0.000 0.000 0.318 220 R C -0.333 175.983 176.300 0.026 0.000 0.950 220 R CA -0.539 55.581 56.100 0.033 0.000 0.837 220 R CB 1.639 31.957 30.300 0.030 0.000 1.165 220 R HN 0.770 nan 8.270 nan 0.000 0.458 221 S N 1.938 117.654 115.700 0.027 0.000 2.526 221 S HA 0.509 4.979 4.470 -0.000 0.000 0.293 221 S C -2.193 172.426 174.600 0.033 0.000 1.092 221 S CA -1.501 56.713 58.200 0.024 0.000 0.980 221 S CB 2.530 65.740 63.200 0.016 0.000 1.048 221 S HN 0.157 nan 8.310 nan 0.000 0.483 222 P HA 0.062 nan 4.420 nan 0.000 0.228 222 P C -0.554 176.784 177.300 0.063 0.000 1.151 222 P CA 0.955 64.078 63.100 0.039 0.000 0.770 222 P CB -0.102 31.612 31.700 0.024 0.000 0.786 223 D N -0.153 120.282 120.400 0.058 0.000 2.277 223 D HA 0.129 4.769 4.640 -0.000 0.000 0.249 223 D C 0.038 176.401 176.300 0.106 0.000 1.134 223 D CA -0.625 53.422 54.000 0.079 0.000 0.863 223 D CB 0.103 40.923 40.800 0.033 0.000 1.143 223 D HN 0.010 nan 8.370 nan 0.000 0.458 224 F N 1.760 121.743 119.950 0.055 0.000 2.572 224 F HA 0.133 4.660 4.527 -0.000 0.000 0.370 224 F C 1.158 177.009 175.800 0.084 0.000 1.103 224 F CA 0.301 58.359 58.000 0.097 0.000 1.286 224 F CB 0.945 40.007 39.000 0.103 0.000 1.105 224 F HN 0.240 nan 8.300 nan 0.000 0.583 225 T N 2.724 116.942 114.554 -0.559 0.000 3.480 225 T HA 0.151 4.501 4.350 -0.000 0.000 0.229 225 T C 0.292 174.555 174.700 -0.729 0.000 0.944 225 T CA 0.055 61.774 62.100 -0.635 0.000 1.388 225 T CB -0.375 68.376 68.868 -0.195 0.000 1.180 225 T HN 0.651 nan 8.240 nan 0.000 0.414 226 N N 1.008 119.642 118.700 -0.111 0.000 2.492 226 N HA 0.180 4.919 4.740 -0.000 0.000 0.289 226 N C 0.761 176.632 175.510 0.602 0.000 1.133 226 N CA -0.167 52.981 53.050 0.164 0.000 0.961 226 N CB 1.439 40.010 38.487 0.141 0.000 1.186 226 N HN 0.292 nan 8.380 nan 0.000 0.493 227 E N 0.130 120.657 120.200 0.546 0.000 2.409 227 E HA -0.137 4.212 4.350 -0.000 0.000 0.198 227 E C -0.121 176.735 176.600 0.426 0.000 1.024 227 E CA 0.489 57.177 56.400 0.479 0.000 0.861 227 E CB -0.247 29.608 29.700 0.259 0.000 0.788 227 E HN 0.417 nan 8.360 nan 0.000 0.521 228 N N 1.639 120.532 118.700 0.322 0.000 2.408 228 N HA 0.058 4.798 4.740 -0.000 0.000 0.257 228 N C -2.203 173.387 175.510 0.134 0.000 1.064 228 N CA -2.323 50.858 53.050 0.218 0.000 0.952 228 N CB 1.394 39.979 38.487 0.163 0.000 1.093 228 N HN -0.291 nan 8.380 nan 0.000 0.490 229 P HA -0.030 nan 4.420 nan 0.000 0.240 229 P C 0.493 177.932 177.300 0.232 0.000 1.186 229 P CA 0.955 63.988 63.100 -0.111 0.000 0.755 229 P CB 0.165 31.892 31.700 0.045 0.000 0.870 230 L N -1.687 119.636 121.223 0.166 0.000 2.731 230 L HA 0.178 4.518 4.340 -0.000 0.000 0.240 230 L C 1.645 178.584 176.870 0.115 0.000 1.120 230 L CA 0.416 55.309 54.840 0.088 0.000 0.913 230 L CB 0.102 42.139 42.059 -0.037 0.000 1.213 230 L HN -0.059 nan 8.230 nan 0.000 0.515 231 E N -0.738 119.556 120.200 0.158 0.000 2.421 231 E HA 0.063 4.413 4.350 -0.000 0.000 0.209 231 E C 0.849 177.540 176.600 0.152 0.000 0.871 231 E CA 0.139 56.630 56.400 0.153 0.000 1.064 231 E CB 0.563 30.351 29.700 0.147 0.000 1.075 231 E HN 0.059 nan 8.360 nan 0.000 0.513 232 T N 1.021 115.667 114.554 0.153 0.000 2.939 232 T HA -0.035 4.315 4.350 -0.000 0.000 0.312 232 T C 0.952 175.720 174.700 0.114 0.000 1.064 232 T CA 0.438 62.625 62.100 0.144 0.000 1.136 232 T CB 0.461 69.401 68.868 0.120 0.000 1.035 232 T HN 0.024 nan 8.240 nan 0.000 0.538 233 R N 2.253 122.803 120.500 0.083 0.000 2.334 233 R HA 0.116 4.455 4.340 -0.000 0.000 0.216 233 R C 1.254 177.583 176.300 0.049 0.000 0.905 233 R CA 0.220 56.357 56.100 0.062 0.000 1.064 233 R CB 0.106 30.429 30.300 0.037 0.000 1.046 233 R HN 0.667 nan 8.270 nan 0.000 0.508 234 N N 0.215 118.954 118.700 0.065 0.000 2.230 234 N HA 0.018 4.757 4.740 -0.000 0.000 0.202 234 N C -0.311 175.193 175.510 -0.010 0.000 1.119 234 N CA 0.212 53.294 53.050 0.054 0.000 0.851 234 N CB 0.609 39.167 38.487 0.119 0.000 0.990 234 N HN -0.054 nan 8.380 nan 0.000 0.497 235 I N 1.139 121.650 120.570 -0.098 0.000 2.439 235 I HA 0.496 4.666 4.170 -0.000 0.000 0.285 235 I C -0.377 175.475 176.117 -0.443 0.000 1.021 235 I CA -1.581 59.537 61.300 -0.303 0.000 1.091 235 I CB 0.848 38.554 38.000 -0.489 0.000 1.242 235 I HN 0.035 nan 8.210 nan 0.000 0.439 236 A N 6.872 129.499 122.820 -0.321 0.000 2.301 236 A HA 0.797 5.117 4.320 -0.000 0.000 0.312 236 A C -0.887 176.514 177.584 -0.306 0.000 1.182 236 A CA -0.267 51.645 52.037 -0.208 0.000 0.826 236 A CB 0.285 19.257 19.000 -0.046 0.000 1.134 236 A HN 0.460 nan 8.150 nan 0.000 0.501 237 F N 1.650 121.635 119.950 0.059 0.000 2.421 237 F HA 0.460 4.987 4.527 -0.000 0.000 0.337 237 F C 0.437 176.289 175.800 0.087 0.000 1.105 237 F CA -0.667 57.386 58.000 0.088 0.000 1.049 237 F CB 1.029 40.061 39.000 0.053 0.000 1.139 237 F HN 0.687 nan 8.300 nan 0.000 0.479 238 F N 2.461 122.520 119.950 0.181 0.000 2.640 238 F HA 0.186 4.713 4.527 -0.000 0.000 0.329 238 F C 1.376 177.232 175.800 0.092 0.000 1.224 238 F CA 0.466 58.528 58.000 0.104 0.000 1.373 238 F CB 0.419 39.464 39.000 0.074 0.000 1.129 238 F HN 0.798 nan 8.300 nan 0.000 0.610 239 S N -1.218 113.661 115.700 -1.368 0.000 2.769 239 S HA -0.264 4.206 4.470 -0.000 0.000 0.264 239 S C 0.307 174.636 174.600 -0.452 0.000 1.288 239 S CA 1.211 58.667 58.200 -1.239 0.000 1.378 239 S CB -3.246 59.103 63.200 -1.419 0.000 1.702 239 S HN 1.714 nan 8.310 nan 0.000 0.656 240 T N 0.313 114.720 114.554 -0.245 0.000 2.888 240 T HA 0.671 5.021 4.350 -0.000 0.000 0.283 240 T C -0.415 174.250 174.700 -0.058 0.000 1.013 240 T CA -0.104 61.936 62.100 -0.101 0.000 0.938 240 T CB 0.919 69.785 68.868 -0.004 0.000 1.298 240 T HN 1.319 nan 8.240 nan 0.000 0.580 241 N N -1.498 117.188 118.700 -0.023 0.000 2.455 241 N HA 0.311 5.051 4.740 -0.000 0.000 0.285 241 N C -1.023 174.490 175.510 0.005 0.000 1.080 241 N CA -0.907 52.138 53.050 -0.009 0.000 0.932 241 N CB 0.981 39.458 38.487 -0.017 0.000 1.610 241 N HN 0.924 nan 8.380 nan 0.000 0.493 242 C N 3.158 122.466 119.300 0.013 0.000 2.662 242 C HA 0.171 4.630 4.460 -0.000 0.000 0.402 242 C C 1.743 176.739 174.990 0.010 0.000 1.397 242 C CA -0.301 58.727 59.018 0.015 0.000 1.575 242 C CB -1.406 26.344 27.740 0.018 0.000 2.406 242 C HN 0.651 nan 8.230 nan 0.000 0.609 243 V N 5.448 125.367 119.914 0.008 0.000 2.307 243 V HA -0.010 4.110 4.120 -0.000 0.000 0.245 243 V C 1.178 177.273 176.094 0.002 0.000 1.045 243 V CA 2.307 64.608 62.300 0.003 0.000 1.024 243 V CB -0.708 31.115 31.823 0.000 0.000 0.651 243 V HN 0.988 nan 8.190 nan 0.000 0.449 244 E N -1.822 118.380 120.200 0.005 0.000 2.447 244 E HA 0.498 4.847 4.350 -0.000 0.000 0.279 244 E C -0.059 176.546 176.600 0.009 0.000 1.053 244 E CA -0.264 56.139 56.400 0.004 0.000 0.840 244 E CB 1.598 31.296 29.700 -0.003 0.000 1.409 244 E HN 0.522 nan 8.360 nan 0.000 0.461 245 G N -0.013 108.793 108.800 0.010 0.000 2.855 245 G HA2 -0.133 3.827 3.960 -0.000 0.000 0.352 245 G HA3 -0.133 3.827 3.960 -0.000 0.000 0.352 245 G C -0.379 174.529 174.900 0.014 0.000 1.415 245 G CA -0.029 45.080 45.100 0.014 0.000 0.871 245 G HN 0.734 nan 8.290 nan 0.000 0.543 246 T N -0.999 113.563 114.554 0.014 0.000 2.927 246 T HA 1.017 5.367 4.350 -0.000 0.000 0.286 246 T C 0.215 174.923 174.700 0.014 0.000 1.040 246 T CA 0.980 63.089 62.100 0.014 0.000 1.010 246 T CB 1.338 70.213 68.868 0.012 0.000 1.177 246 T HN 2.555 nan 8.240 nan 0.000 0.546 247 A N 1.433 124.261 122.820 0.014 0.000 2.522 247 A HA 0.758 5.078 4.320 -0.000 0.000 0.291 247 A C -1.694 175.898 177.584 0.013 0.000 1.039 247 A CA -0.789 51.255 52.037 0.013 0.000 0.643 247 A CB 1.081 20.089 19.000 0.014 0.000 1.310 247 A HN 0.767 nan 8.150 nan 0.000 0.436 248 R N -0.784 119.724 120.500 0.012 0.000 2.626 248 R HA 0.663 5.003 4.340 -0.000 0.000 0.274 248 R C -0.259 176.049 176.300 0.014 0.000 1.031 248 R CA -0.116 55.992 56.100 0.014 0.000 0.898 248 R CB 2.611 32.919 30.300 0.013 0.000 1.222 248 R HN 1.632 nan 8.270 nan 0.000 0.455 249 G N 1.950 110.760 108.800 0.016 0.000 2.660 249 G HA2 0.524 4.484 3.960 -0.000 0.000 0.290 249 G HA3 0.524 4.484 3.960 -0.000 0.000 0.290 249 G C -0.947 173.969 174.900 0.026 0.000 1.432 249 G CA -0.847 44.265 45.100 0.019 0.000 0.807 249 G HN 0.410 nan 8.290 nan 0.000 0.485 250 I N 0.045 120.639 120.570 0.040 0.000 2.499 250 I HA 0.422 4.592 4.170 -0.000 0.000 0.296 250 I C 0.039 176.153 176.117 -0.004 0.000 0.992 250 I CA -1.081 60.246 61.300 0.045 0.000 1.297 250 I CB 1.664 39.737 38.000 0.122 0.000 1.410 250 I HN 0.016 nan 8.210 nan 0.000 0.507 251 V N 5.855 125.740 119.914 -0.048 0.000 2.432 251 V HA 0.061 4.181 4.120 -0.000 0.000 0.271 251 V C 0.957 176.914 176.094 -0.227 0.000 1.046 251 V CA -0.235 62.010 62.300 -0.092 0.000 0.945 251 V CB 1.159 32.938 31.823 -0.075 0.000 0.992 251 V HN 0.731 nan 8.190 nan 0.000 0.471 252 V N 2.941 122.720 119.914 -0.226 0.000 3.212 252 V HA 0.270 4.389 4.120 -0.000 0.000 0.244 252 V C 0.269 176.125 176.094 -0.398 0.000 1.151 252 V CA 0.284 62.332 62.300 -0.420 0.000 1.119 252 V CB -0.565 31.050 31.823 -0.346 0.000 0.838 252 V HN 0.674 nan 8.190 nan 0.000 0.470 253 Y N -0.282 119.961 120.300 -0.095 0.000 2.409 253 Y HA 0.692 5.242 4.550 -0.000 0.000 0.343 253 Y C 0.020 175.871 175.900 -0.082 0.000 0.973 253 Y CA -0.600 57.460 58.100 -0.067 0.000 1.064 253 Y CB 2.457 40.909 38.460 -0.014 0.000 1.207 253 Y HN -0.082 nan 8.280 nan 0.000 0.452 254 T N 2.035 116.651 114.554 0.104 0.000 2.993 254 T HA 0.558 4.908 4.350 -0.000 0.000 0.312 254 T C -0.063 174.588 174.700 -0.083 0.000 1.115 254 T CA 0.296 62.380 62.100 -0.027 0.000 1.027 254 T CB 1.300 70.144 68.868 -0.039 0.000 1.116 254 T HN 1.127 nan 8.240 nan 0.000 0.464 255 G N 3.633 112.325 108.800 -0.180 0.000 2.512 255 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.254 255 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.254 255 G C 0.183 174.952 174.900 -0.219 0.000 1.199 255 G CA 0.359 45.341 45.100 -0.196 0.000 0.941 255 G HN 0.690 nan 8.290 nan 0.000 0.569 256 D N 0.656 120.966 120.400 -0.149 0.000 2.392 256 D HA 0.044 4.684 4.640 -0.000 0.000 0.228 256 D C 2.242 178.456 176.300 -0.144 0.000 1.003 256 D CA 0.611 54.533 54.000 -0.131 0.000 0.917 256 D CB 0.030 40.778 40.800 -0.086 0.000 0.890 256 D HN 0.443 nan 8.370 nan 0.000 0.532 257 R N 0.156 120.562 120.500 -0.157 0.000 2.223 257 R HA 0.027 4.367 4.340 -0.000 0.000 0.198 257 R C 0.982 176.974 176.300 -0.513 0.000 0.984 257 R CA 0.279 56.239 56.100 -0.234 0.000 1.018 257 R CB 0.217 30.499 30.300 -0.030 0.000 0.945 257 R HN 0.158 nan 8.270 nan 0.000 0.479 258 T N -1.949 112.437 114.554 -0.280 0.000 2.900 258 T HA 0.036 4.386 4.350 -0.000 0.000 0.307 258 T C 1.673 176.300 174.700 -0.122 0.000 1.065 258 T CA -0.629 61.370 62.100 -0.168 0.000 1.105 258 T CB 1.335 70.187 68.868 -0.027 0.000 0.979 258 T HN -0.189 nan 8.240 nan 0.000 0.544 259 V N 2.500 122.427 119.914 0.023 0.000 2.250 259 V HA -0.238 3.881 4.120 -0.000 0.000 0.253 259 V C 2.817 178.966 176.094 0.091 0.000 1.065 259 V CA 2.097 64.445 62.300 0.081 0.000 1.039 259 V CB -0.858 31.131 31.823 0.275 0.000 0.647 259 V HN 0.849 nan 8.190 nan 0.000 0.446 260 M N 0.100 119.844 119.600 0.240 0.000 2.159 260 M HA -0.080 4.400 4.480 -0.000 0.000 0.263 260 M C 2.290 178.738 176.300 0.247 0.000 1.063 260 M CA 1.960 57.420 55.300 0.267 0.000 1.110 260 M CB -1.733 31.100 32.600 0.390 0.000 1.374 260 M HN 0.501 nan 8.290 nan 0.000 0.411 261 G N 0.137 109.034 108.800 0.162 0.000 2.446 261 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.217 261 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.217 261 G C 1.761 176.648 174.900 -0.021 0.000 1.168 261 G CA 0.452 45.548 45.100 -0.008 0.000 0.771 261 G HN 0.393 nan 8.290 nan 0.000 0.551 262 R N -0.511 119.960 120.500 -0.050 0.000 2.105 262 R HA -0.064 4.276 4.340 -0.000 0.000 0.239 262 R C 2.449 178.731 176.300 -0.029 0.000 1.135 262 R CA 0.984 57.051 56.100 -0.056 0.000 0.967 262 R CB -0.436 29.816 30.300 -0.080 0.000 0.861 262 R HN 0.310 nan 8.270 nan 0.000 0.442 263 I N 0.845 121.408 120.570 -0.010 0.000 2.252 263 I HA -0.187 3.983 4.170 -0.000 0.000 0.245 263 I C 2.484 178.598 176.117 -0.005 0.000 1.102 263 I CA 1.080 62.373 61.300 -0.012 0.000 1.385 263 I CB -0.966 37.027 38.000 -0.012 0.000 1.064 263 I HN 0.102 nan 8.210 nan 0.000 0.414 264 A N -0.478 122.353 122.820 0.018 0.000 1.883 264 A HA -0.251 4.069 4.320 -0.000 0.000 0.217 264 A C 2.410 179.992 177.584 -0.003 0.000 1.186 264 A CA 2.643 54.691 52.037 0.018 0.000 0.624 264 A CB -1.290 17.740 19.000 0.050 0.000 0.822 264 A HN 0.435 nan 8.150 nan 0.000 0.444 265 T N 0.100 114.647 114.554 -0.011 0.000 2.674 265 T HA -0.161 4.189 4.350 -0.000 0.000 0.265 265 T C 1.837 176.524 174.700 -0.021 0.000 1.039 265 T CA 1.558 63.646 62.100 -0.020 0.000 1.150 265 T CB -0.481 68.371 68.868 -0.027 0.000 0.864 265 T HN 0.400 nan 8.240 nan 0.000 0.427 266 L N 0.886 122.094 121.223 -0.024 0.000 2.261 266 L HA 0.058 4.398 4.340 -0.000 0.000 0.216 266 L C 2.265 179.119 176.870 -0.028 0.000 1.114 266 L CA 1.417 56.241 54.840 -0.026 0.000 0.777 266 L CB -0.649 41.392 42.059 -0.029 0.000 0.910 266 L HN 0.219 nan 8.230 nan 0.000 0.440 267 A N -0.933 121.872 122.820 -0.026 0.000 1.832 267 A HA -0.066 4.254 4.320 -0.000 0.000 0.214 267 A C 2.138 179.706 177.584 -0.027 0.000 1.242 267 A CA 1.275 53.295 52.037 -0.028 0.000 0.603 267 A CB -1.000 17.985 19.000 -0.025 0.000 0.902 267 A HN 0.460 nan 8.150 nan 0.000 0.455 268 S N 0.062 115.749 115.700 -0.022 0.000 2.595 268 S HA 0.135 4.605 4.470 -0.000 0.000 0.235 268 S C 1.298 175.885 174.600 -0.022 0.000 0.974 268 S CA 0.635 58.822 58.200 -0.022 0.000 0.942 268 S CB -0.147 63.043 63.200 -0.016 0.000 0.766 268 S HN 0.760 nan 8.310 nan 0.000 0.536 269 G N 0.279 109.065 108.800 -0.023 0.000 3.453 269 G HA2 0.426 4.386 3.960 -0.000 0.000 0.263 269 G HA3 0.426 4.386 3.960 -0.000 0.000 0.263 269 G C 0.159 175.045 174.900 -0.024 0.000 1.060 269 G CA -0.311 44.776 45.100 -0.022 0.000 0.793 269 G HN 0.300 nan 8.290 nan 0.000 0.532 270 L N -0.184 121.022 121.223 -0.028 0.000 2.472 270 L HA 0.524 4.864 4.340 -0.000 0.000 0.256 270 L C 0.191 177.041 176.870 -0.033 0.000 1.111 270 L CA -0.854 53.968 54.840 -0.031 0.000 0.800 270 L CB 1.492 43.529 42.059 -0.036 0.000 1.286 270 L HN -0.003 nan 8.230 nan 0.000 0.479 271 E N -0.507 119.672 120.200 -0.036 0.000 2.319 271 E HA 0.259 4.608 4.350 -0.000 0.000 0.268 271 E C 0.446 177.018 176.600 -0.046 0.000 1.050 271 E CA 0.333 56.709 56.400 -0.040 0.000 0.878 271 E CB 1.769 31.446 29.700 -0.039 0.000 1.066 271 E HN 0.585 nan 8.360 nan 0.000 0.406 272 G N 1.958 110.726 108.800 -0.053 0.000 2.499 272 G HA2 0.366 4.326 3.960 -0.000 0.000 0.213 272 G HA3 0.366 4.326 3.960 -0.000 0.000 0.213 272 G C 0.582 175.446 174.900 -0.060 0.000 1.230 272 G CA 0.527 45.592 45.100 -0.058 0.000 0.813 272 G HN 0.999 nan 8.290 nan 0.000 0.542 273 G N -1.553 107.207 108.800 -0.066 0.000 2.612 273 G HA2 -0.022 3.938 3.960 -0.000 0.000 0.686 273 G HA3 -0.022 3.938 3.960 -0.000 0.000 0.686 273 G C -0.699 174.160 174.900 -0.068 0.000 1.274 273 G CA -0.421 44.642 45.100 -0.062 0.000 0.849 273 G HN 0.606 nan 8.290 nan 0.000 0.595 274 Q N 0.491 120.254 119.800 -0.061 0.000 2.256 274 Q HA 0.531 4.871 4.340 -0.000 0.000 0.254 274 Q C 1.024 176.993 176.000 -0.052 0.000 0.916 274 Q CA 0.011 55.778 55.803 -0.061 0.000 0.932 274 Q CB 1.271 29.979 28.738 -0.051 0.000 1.207 274 Q HN 0.918 nan 8.270 nan 0.000 0.426 275 T N -0.832 113.690 114.554 -0.053 0.000 2.828 275 T HA 0.193 4.543 4.350 -0.000 0.000 0.290 275 T C -1.599 173.080 174.700 -0.036 0.000 1.019 275 T CA -1.459 60.614 62.100 -0.046 0.000 1.031 275 T CB 0.663 69.503 68.868 -0.046 0.000 1.001 275 T HN 0.340 nan 8.240 nan 0.000 0.531 276 P HA -0.093 nan 4.420 nan 0.000 0.213 276 P C 1.883 179.183 177.300 0.000 0.000 1.170 276 P CA 0.549 63.639 63.100 -0.017 0.000 0.893 276 P CB -0.101 31.587 31.700 -0.020 0.000 0.784 277 I N 0.402 120.975 120.570 0.006 0.000 2.185 277 I HA -0.291 3.879 4.170 -0.000 0.000 0.246 277 I C 2.151 178.252 176.117 -0.028 0.000 1.088 277 I CA 2.145 63.454 61.300 0.015 0.000 1.347 277 I CB -1.117 36.888 38.000 0.008 0.000 1.041 277 I HN -0.106 nan 8.210 nan 0.000 0.415 278 A N 0.751 123.542 122.820 -0.048 0.000 1.940 278 A HA -0.178 4.142 4.320 -0.000 0.000 0.219 278 A C 2.537 180.079 177.584 -0.070 0.000 1.176 278 A CA 2.043 54.032 52.037 -0.080 0.000 0.631 278 A CB -0.937 18.019 19.000 -0.073 0.000 0.814 278 A HN 0.591 nan 8.150 nan 0.000 0.446 279 A N -0.311 122.490 122.820 -0.031 0.000 1.865 279 A HA -0.187 4.133 4.320 -0.000 0.000 0.217 279 A C 1.948 179.550 177.584 0.031 0.000 1.191 279 A CA 1.856 53.891 52.037 -0.002 0.000 0.623 279 A CB -0.493 18.507 19.000 -0.000 0.000 0.826 279 A HN 0.446 nan 8.150 nan 0.000 0.444 280 E N -0.232 119.990 120.200 0.037 0.000 2.058 280 E HA -0.184 4.166 4.350 -0.000 0.000 0.194 280 E C 1.954 178.593 176.600 0.066 0.000 0.997 280 E CA 1.052 57.506 56.400 0.090 0.000 0.801 280 E CB -0.590 29.165 29.700 0.091 0.000 0.746 280 E HN 0.711 nan 8.360 nan 0.000 0.450 281 I N 1.040 121.549 120.570 -0.102 0.000 2.069 281 I HA -0.343 3.827 4.170 -0.000 0.000 0.237 281 I C 2.619 178.572 176.117 -0.274 0.000 1.053 281 I CA 1.777 62.859 61.300 -0.362 0.000 1.311 281 I CB -0.106 37.536 38.000 -0.597 0.000 1.030 281 I HN 0.154 nan 8.210 nan 0.000 0.398 282 E N -0.219 119.859 120.200 -0.202 0.000 2.085 282 E HA -0.355 3.995 4.350 -0.000 0.000 0.194 282 E C 2.266 178.773 176.600 -0.155 0.000 0.994 282 E CA 1.575 57.876 56.400 -0.165 0.000 0.801 282 E CB -0.313 29.323 29.700 -0.107 0.000 0.743 282 E HN 0.600 nan 8.360 nan 0.000 0.453 283 H N -0.560 118.474 119.070 -0.060 0.000 2.389 283 H HA -0.157 4.399 4.556 -0.000 0.000 0.299 283 H C 2.007 177.395 175.328 0.100 0.000 1.081 283 H CA 1.502 57.580 56.048 0.050 0.000 1.345 283 H CB -0.224 29.603 29.762 0.109 0.000 1.393 283 H HN 0.345 nan 8.280 nan 0.000 0.520 284 F N 1.167 121.101 119.950 -0.027 0.000 2.134 284 F HA -0.165 4.362 4.527 -0.000 0.000 0.299 284 F C 2.302 178.117 175.800 0.025 0.000 1.097 284 F CA 1.249 59.257 58.000 0.012 0.000 1.264 284 F CB -0.551 38.545 39.000 0.160 0.000 1.001 284 F HN 0.056 nan 8.300 nan 0.000 0.479 285 I N 0.203 120.849 120.570 0.127 0.000 2.163 285 I HA -0.383 3.787 4.170 -0.000 0.000 0.243 285 I C 2.358 178.396 176.117 -0.132 0.000 1.085 285 I CA 2.016 63.323 61.300 0.012 0.000 1.347 285 I CB -0.808 37.282 38.000 0.149 0.000 1.044 285 I HN 0.226 nan 8.210 nan 0.000 0.408 286 H N -0.021 118.988 119.070 -0.102 0.000 2.394 286 H HA -0.223 4.333 4.556 -0.000 0.000 0.297 286 H C 2.131 177.338 175.328 -0.201 0.000 1.113 286 H CA 1.298 57.267 56.048 -0.132 0.000 1.277 286 H CB 0.167 29.845 29.762 -0.141 0.000 1.370 286 H HN 0.239 nan 8.280 nan 0.000 0.506 287 I N 0.231 120.680 120.570 -0.203 0.000 2.233 287 I HA -0.209 3.961 4.170 -0.000 0.000 0.243 287 I C 2.326 178.281 176.117 -0.271 0.000 1.093 287 I CA 0.741 61.888 61.300 -0.255 0.000 1.380 287 I CB -0.692 37.115 38.000 -0.322 0.000 1.067 287 I HN 0.287 nan 8.210 nan 0.000 0.413 288 I N 1.072 121.402 120.570 -0.401 0.000 2.058 288 I HA -0.315 3.855 4.170 -0.000 0.000 0.235 288 I C 2.562 178.600 176.117 -0.131 0.000 1.053 288 I CA 1.793 62.900 61.300 -0.322 0.000 1.313 288 I CB -1.473 36.279 38.000 -0.414 0.000 1.039 288 I HN 0.194 nan 8.210 nan 0.000 0.396 289 T N 0.896 115.401 114.554 -0.080 0.000 2.721 289 T HA -0.183 4.167 4.350 -0.000 0.000 0.268 289 T C 1.820 176.528 174.700 0.014 0.000 1.038 289 T CA 1.479 63.577 62.100 -0.004 0.000 1.145 289 T CB -0.795 68.095 68.868 0.037 0.000 0.858 289 T HN 0.617 nan 8.240 nan 0.000 0.459 290 G N 1.117 109.909 108.800 -0.013 0.000 2.469 290 G HA2 -0.208 3.751 3.960 -0.000 0.000 0.220 290 G HA3 -0.208 3.751 3.960 -0.000 0.000 0.220 290 G C 1.710 176.632 174.900 0.037 0.000 1.136 290 G CA 1.508 46.607 45.100 -0.002 0.000 0.759 290 G HN 0.586 nan 8.290 nan 0.000 0.562 291 V N -1.943 117.987 119.914 0.026 0.000 2.825 291 V HA 0.450 4.570 4.120 -0.000 0.000 0.246 291 V C 2.860 179.059 176.094 0.174 0.000 1.068 291 V CA 1.175 63.547 62.300 0.119 0.000 1.088 291 V CB -0.493 31.380 31.823 0.082 0.000 0.733 291 V HN 0.340 nan 8.190 nan 0.000 0.468 292 A N 1.415 124.292 122.820 0.094 0.000 2.070 292 A HA -0.038 4.282 4.320 -0.000 0.000 0.220 292 A C 2.265 179.893 177.584 0.074 0.000 1.159 292 A CA 2.260 54.338 52.037 0.069 0.000 0.656 292 A CB -0.635 18.383 19.000 0.029 0.000 0.800 292 A HN 1.130 nan 8.150 nan 0.000 0.453 293 V N -4.767 115.207 119.914 0.100 0.000 3.431 293 V HA 0.156 4.276 4.120 -0.000 0.000 0.253 293 V C 2.007 178.181 176.094 0.133 0.000 1.184 293 V CA 0.958 63.312 62.300 0.090 0.000 1.104 293 V CB -0.896 30.972 31.823 0.075 0.000 0.799 293 V HN 0.337 nan 8.190 nan 0.000 0.462 294 F N 1.194 121.177 119.950 0.056 0.000 2.113 294 F HA 0.038 4.565 4.527 -0.000 0.000 0.297 294 F C 1.937 177.813 175.800 0.128 0.000 1.103 294 F CA 2.026 60.074 58.000 0.081 0.000 1.248 294 F CB -0.091 38.949 39.000 0.066 0.000 0.999 294 F HN 0.060 nan 8.300 nan 0.000 0.475 295 L N -0.111 121.209 121.223 0.162 0.000 2.027 295 L HA -0.096 4.244 4.340 -0.000 0.000 0.206 295 L C 2.813 179.736 176.870 0.088 0.000 1.074 295 L CA 1.390 56.294 54.840 0.106 0.000 0.745 295 L CB -1.763 40.342 42.059 0.077 0.000 0.898 295 L HN 0.369 nan 8.230 nan 0.000 0.433 296 G N 0.398 109.233 108.800 0.058 0.000 2.574 296 G HA2 -0.307 3.653 3.960 -0.000 0.000 0.220 296 G HA3 -0.307 3.653 3.960 -0.000 0.000 0.220 296 G C 1.551 176.519 174.900 0.113 0.000 1.173 296 G CA 1.768 46.906 45.100 0.064 0.000 0.772 296 G HN 0.392 nan 8.290 nan 0.000 0.585 297 V N -3.032 116.926 119.914 0.075 0.000 2.878 297 V HA 0.167 4.287 4.120 -0.000 0.000 0.250 297 V C 2.523 178.702 176.094 0.142 0.000 1.075 297 V CA 1.925 64.305 62.300 0.135 0.000 1.096 297 V CB -0.104 31.757 31.823 0.064 0.000 0.724 297 V HN 0.211 nan 8.190 nan 0.000 0.467 298 S N 0.259 115.926 115.700 -0.055 0.000 2.399 298 S HA -0.014 4.456 4.470 -0.000 0.000 0.231 298 S C 1.510 176.069 174.600 -0.070 0.000 1.022 298 S CA 1.948 60.035 58.200 -0.188 0.000 0.983 298 S CB -0.490 62.413 63.200 -0.495 0.000 0.803 298 S HN 0.699 nan 8.310 nan 0.000 0.480 299 F N 0.060 119.966 119.950 -0.074 0.000 2.743 299 F HA 0.237 4.763 4.527 -0.000 0.000 0.297 299 F C 1.455 177.264 175.800 0.015 0.000 1.131 299 F CA -0.297 57.676 58.000 -0.046 0.000 1.426 299 F CB -0.240 38.734 39.000 -0.043 0.000 1.116 299 F HN 0.306 nan 8.300 nan 0.000 0.583 300 F N 1.311 121.302 119.950 0.069 0.000 2.234 300 F HA -0.060 4.467 4.527 -0.000 0.000 0.296 300 F C 2.134 177.919 175.800 -0.025 0.000 1.089 300 F CA 1.376 59.387 58.000 0.018 0.000 1.343 300 F CB -0.674 38.307 39.000 -0.031 0.000 1.040 300 F HN 0.006 nan 8.300 nan 0.000 0.498 301 I N -0.851 119.411 120.570 -0.514 0.000 2.353 301 I HA -0.152 4.018 4.170 -0.000 0.000 0.248 301 I C 2.227 178.143 176.117 -0.334 0.000 1.119 301 I CA 1.457 62.425 61.300 -0.553 0.000 1.417 301 I CB -0.873 36.969 38.000 -0.263 0.000 1.078 301 I HN 0.300 nan 8.210 nan 0.000 0.421 302 L N 1.600 122.661 121.223 -0.270 0.000 2.046 302 L HA -0.207 4.133 4.340 -0.000 0.000 0.208 302 L C 3.068 179.845 176.870 -0.156 0.000 1.077 302 L CA 2.038 56.723 54.840 -0.259 0.000 0.747 302 L CB -0.294 41.496 42.059 -0.449 0.000 0.896 302 L HN 0.568 nan 8.230 nan 0.000 0.432 303 S N -0.515 115.116 115.700 -0.114 0.000 2.368 303 S HA -0.244 4.226 4.470 -0.000 0.000 0.225 303 S C 1.908 176.588 174.600 0.133 0.000 1.030 303 S CA 1.159 59.367 58.200 0.014 0.000 0.999 303 S CB -0.764 62.458 63.200 0.036 0.000 0.844 303 S HN 0.283 nan 8.310 nan 0.000 0.459 304 L N 1.629 122.812 121.223 -0.065 0.000 1.970 304 L HA 0.009 4.349 4.340 -0.000 0.000 0.212 304 L C 2.308 179.179 176.870 0.001 0.000 1.071 304 L CA 1.577 56.393 54.840 -0.040 0.000 0.751 304 L CB -0.563 41.367 42.059 -0.215 0.000 0.889 304 L HN 0.301 nan 8.230 nan 0.000 0.432 305 I N -0.422 120.114 120.570 -0.057 0.000 2.953 305 I HA -0.247 3.923 4.170 -0.000 0.000 0.271 305 I C 1.470 177.575 176.117 -0.020 0.000 1.286 305 I CA 1.146 62.418 61.300 -0.046 0.000 1.449 305 I CB -0.947 37.007 38.000 -0.077 0.000 1.086 305 I HN 0.272 nan 8.210 nan 0.000 0.483 306 L N 0.736 121.983 121.223 0.040 0.000 2.984 306 L HA 0.173 4.513 4.340 -0.000 0.000 0.246 306 L C -0.144 176.702 176.870 -0.040 0.000 1.268 306 L CA 0.028 54.900 54.840 0.053 0.000 1.054 306 L CB -0.388 41.767 42.059 0.161 0.000 1.393 306 L HN 0.267 nan 8.230 nan 0.000 0.532 307 E N -0.829 119.330 120.200 -0.068 0.000 2.260 307 E HA -0.237 4.113 4.350 -0.000 0.000 0.204 307 E C -1.187 175.206 176.600 -0.345 0.000 1.319 307 E CA 0.405 56.699 56.400 -0.177 0.000 0.679 307 E CB -1.466 28.094 29.700 -0.234 0.000 1.158 307 E HN 0.271 nan 8.360 nan 0.000 0.376 308 Y N -0.340 119.970 120.300 0.016 0.000 2.331 308 Y HA 0.249 4.799 4.550 -0.000 0.000 0.326 308 Y C 0.818 176.745 175.900 0.046 0.000 1.020 308 Y CA -0.502 57.618 58.100 0.033 0.000 1.136 308 Y CB 2.023 40.519 38.460 0.060 0.000 1.157 308 Y HN 0.125 nan 8.280 nan 0.000 0.444 309 T N 1.276 115.950 114.554 0.201 0.000 2.649 309 T HA -0.176 4.174 4.350 -0.000 0.000 0.337 309 T C 0.679 175.527 174.700 0.247 0.000 1.070 309 T CA 0.417 62.637 62.100 0.200 0.000 1.052 309 T CB 0.436 69.395 68.868 0.153 0.000 0.994 309 T HN 0.786 nan 8.240 nan 0.000 0.544 310 W N 1.737 123.086 121.300 0.082 0.000 3.077 310 W HA 0.252 4.912 4.660 -0.000 0.000 0.245 310 W C 1.320 177.884 176.519 0.075 0.000 1.316 310 W CA 0.133 57.541 57.345 0.103 0.000 1.537 310 W CB -0.325 29.189 29.460 0.090 0.000 1.131 310 W HN 0.501 nan 8.180 nan 0.000 0.695 311 L N -1.064 120.262 121.223 0.172 0.000 2.640 311 L HA 0.238 4.578 4.340 -0.000 0.000 0.230 311 L C 1.410 178.250 176.870 -0.050 0.000 1.123 311 L CA 0.381 55.266 54.840 0.074 0.000 0.900 311 L CB -0.024 42.085 42.059 0.084 0.000 1.146 311 L HN -0.083 nan 8.230 nan 0.000 0.484 312 E N 0.544 120.690 120.200 -0.090 0.000 2.629 312 E HA 0.181 4.531 4.350 -0.000 0.000 0.197 312 E C 2.141 178.491 176.600 -0.416 0.000 0.955 312 E CA 0.615 56.821 56.400 -0.322 0.000 1.191 312 E CB -0.075 29.520 29.700 -0.174 0.000 1.175 312 E HN 0.225 nan 8.360 nan 0.000 0.501 313 A N 1.340 124.083 122.820 -0.129 0.000 2.093 313 A HA -0.152 4.168 4.320 -0.000 0.000 0.222 313 A C 2.230 179.940 177.584 0.210 0.000 1.162 313 A CA 1.284 53.365 52.037 0.072 0.000 0.655 313 A CB -0.443 18.573 19.000 0.027 0.000 0.805 313 A HN 0.130 nan 8.150 nan 0.000 0.461 314 V N -1.158 118.724 119.914 -0.054 0.000 2.795 314 V HA -0.028 4.091 4.120 -0.000 0.000 0.243 314 V C 2.056 178.084 176.094 -0.110 0.000 1.069 314 V CA 1.070 63.272 62.300 -0.164 0.000 1.089 314 V CB -0.087 31.529 31.823 -0.345 0.000 0.756 314 V HN 0.539 nan 8.190 nan 0.000 0.471 315 I N -0.237 120.232 120.570 -0.168 0.000 2.916 315 I HA -0.098 4.072 4.170 -0.000 0.000 0.267 315 I C 1.697 177.791 176.117 -0.037 0.000 1.263 315 I CA 1.476 62.690 61.300 -0.144 0.000 1.471 315 I CB -0.422 37.450 38.000 -0.212 0.000 1.089 315 I HN 0.158 nan 8.210 nan 0.000 0.468 316 F N -0.781 119.193 119.950 0.040 0.000 2.317 316 F HA 0.086 4.612 4.527 -0.000 0.000 0.290 316 F C 2.191 178.034 175.800 0.072 0.000 1.075 316 F CA 0.635 58.688 58.000 0.090 0.000 1.380 316 F CB -1.138 37.892 39.000 0.049 0.000 1.093 316 F HN -0.020 nan 8.300 nan 0.000 0.524 317 L N 0.200 121.557 121.223 0.223 0.000 2.013 317 L HA -0.237 4.102 4.340 -0.000 0.000 0.212 317 L C 2.401 179.300 176.870 0.048 0.000 1.073 317 L CA 1.528 56.428 54.840 0.101 0.000 0.753 317 L CB -0.445 41.585 42.059 -0.048 0.000 0.890 317 L HN 0.166 nan 8.230 nan 0.000 0.432 318 I N -0.097 120.487 120.570 0.024 0.000 2.423 318 I HA -0.179 3.991 4.170 -0.000 0.000 0.254 318 I C 2.128 178.258 176.117 0.023 0.000 1.151 318 I CA 1.513 62.819 61.300 0.010 0.000 1.421 318 I CB -0.478 37.522 38.000 0.001 0.000 1.079 318 I HN 0.287 nan 8.210 nan 0.000 0.431 319 G N 1.491 110.340 108.800 0.081 0.000 2.480 319 G HA2 -0.192 3.768 3.960 -0.000 0.000 0.216 319 G HA3 -0.192 3.768 3.960 -0.000 0.000 0.216 319 G C 1.173 176.045 174.900 -0.048 0.000 1.200 319 G CA 0.788 45.916 45.100 0.046 0.000 0.782 319 G HN 0.475 nan 8.290 nan 0.000 0.554 320 I N 2.435 123.000 120.570 -0.008 0.000 2.566 320 I HA 0.115 4.285 4.170 -0.000 0.000 0.286 320 I C 1.012 177.099 176.117 -0.051 0.000 1.060 320 I CA 0.072 61.334 61.300 -0.062 0.000 2.222 320 I CB -0.504 37.454 38.000 -0.070 0.000 1.534 320 I HN 0.361 nan 8.210 nan 0.000 0.987 321 I N -0.689 119.841 120.570 -0.067 0.000 3.669 321 I HA 0.092 4.262 4.170 -0.000 0.000 0.255 321 I C 1.760 177.837 176.117 -0.067 0.000 1.144 321 I CA 0.167 61.438 61.300 -0.048 0.000 1.447 321 I CB -0.505 37.477 38.000 -0.030 0.000 1.622 321 I HN -0.057 nan 8.210 nan 0.000 0.435 322 V N 2.408 122.266 119.914 -0.094 0.000 2.231 322 V HA -0.353 3.767 4.120 -0.000 0.000 0.250 322 V C 3.099 179.123 176.094 -0.117 0.000 1.058 322 V CA 2.848 65.084 62.300 -0.107 0.000 1.022 322 V CB -1.351 30.386 31.823 -0.143 0.000 0.640 322 V HN 0.639 nan 8.190 nan 0.000 0.445 323 A N -0.305 122.421 122.820 -0.156 0.000 1.948 323 A HA -0.273 4.046 4.320 -0.000 0.000 0.220 323 A C 1.981 179.502 177.584 -0.105 0.000 1.177 323 A CA 2.364 54.307 52.037 -0.156 0.000 0.636 323 A CB -0.587 18.297 19.000 -0.194 0.000 0.815 323 A HN 0.605 nan 8.150 nan 0.000 0.449 324 N N -1.070 117.585 118.700 -0.074 0.000 2.299 324 N HA 0.115 4.854 4.740 -0.000 0.000 0.187 324 N C -0.597 174.909 175.510 -0.007 0.000 1.099 324 N CA 0.375 53.413 53.050 -0.021 0.000 0.867 324 N CB 0.681 39.165 38.487 -0.005 0.000 0.974 324 N HN 0.172 nan 8.380 nan 0.000 0.477 325 V N 2.893 122.789 119.914 -0.031 0.000 2.376 325 V HA 0.331 4.451 4.120 -0.000 0.000 0.287 325 V C -2.331 173.739 176.094 -0.040 0.000 1.015 325 V CA -1.849 60.431 62.300 -0.032 0.000 0.834 325 V CB 1.927 33.730 31.823 -0.032 0.000 1.001 325 V HN -0.104 nan 8.190 nan 0.000 0.428 326 P HA 0.108 nan 4.420 nan 0.000 0.260 326 P C 0.191 177.450 177.300 -0.069 0.000 1.185 326 P CA 0.325 63.402 63.100 -0.039 0.000 0.763 326 P CB 0.722 32.409 31.700 -0.021 0.000 0.776 327 E N 1.850 122.017 120.200 -0.056 0.000 2.190 327 E HA 0.024 4.374 4.350 -0.000 0.000 0.191 327 E C 2.053 178.622 176.600 -0.052 0.000 0.978 327 E CA 0.929 57.296 56.400 -0.055 0.000 0.839 327 E CB -0.295 29.374 29.700 -0.052 0.000 0.787 327 E HN 0.534 nan 8.360 nan 0.000 0.473 328 G N 0.213 108.987 108.800 -0.044 0.000 2.887 328 G HA2 -0.041 3.919 3.960 -0.000 0.000 0.211 328 G HA3 -0.041 3.919 3.960 -0.000 0.000 0.211 328 G C 1.326 176.204 174.900 -0.037 0.000 1.152 328 G CA -0.202 44.877 45.100 -0.035 0.000 0.769 328 G HN 0.065 nan 8.290 nan 0.000 0.541 329 L N 0.841 122.030 121.223 -0.057 0.000 2.012 329 L HA 0.016 4.356 4.340 -0.000 0.000 0.210 329 L C 2.706 179.532 176.870 -0.073 0.000 1.073 329 L CA 1.474 56.268 54.840 -0.077 0.000 0.748 329 L CB -0.376 41.599 42.059 -0.140 0.000 0.891 329 L HN 0.121 nan 8.230 nan 0.000 0.431 330 L N -0.862 120.308 121.223 -0.088 0.000 1.970 330 L HA -0.257 4.083 4.340 -0.000 0.000 0.212 330 L C 2.621 179.505 176.870 0.023 0.000 1.071 330 L CA 1.809 56.653 54.840 0.007 0.000 0.751 330 L CB -1.311 40.766 42.059 0.030 0.000 0.889 330 L HN 0.394 nan 8.230 nan 0.000 0.432 331 A N -0.651 122.159 122.820 -0.017 0.000 2.076 331 A HA -0.178 4.142 4.320 -0.000 0.000 0.220 331 A C 2.251 179.813 177.584 -0.037 0.000 1.160 331 A CA 2.144 54.149 52.037 -0.053 0.000 0.653 331 A CB -0.710 18.233 19.000 -0.096 0.000 0.801 331 A HN 0.497 nan 8.150 nan 0.000 0.455 332 T N -0.585 113.960 114.554 -0.016 0.000 2.623 332 T HA -0.096 4.254 4.350 -0.000 0.000 0.254 332 T C 1.866 176.578 174.700 0.020 0.000 1.075 332 T CA 1.335 63.435 62.100 0.000 0.000 1.177 332 T CB -0.798 68.071 68.868 0.002 0.000 0.869 332 T HN 0.098 nan 8.240 nan 0.000 0.403 333 V N 1.688 121.615 119.914 0.021 0.000 2.252 333 V HA -0.307 3.812 4.120 -0.000 0.000 0.255 333 V C 2.831 178.957 176.094 0.053 0.000 1.071 333 V CA 2.497 64.816 62.300 0.031 0.000 1.050 333 V CB -1.249 30.606 31.823 0.054 0.000 0.654 333 V HN 0.607 nan 8.190 nan 0.000 0.448 334 T N -0.506 114.091 114.554 0.070 0.000 2.665 334 T HA -0.200 4.150 4.350 -0.000 0.000 0.268 334 T C 1.836 176.612 174.700 0.126 0.000 1.035 334 T CA 1.846 64.006 62.100 0.100 0.000 1.151 334 T CB -0.289 68.645 68.868 0.109 0.000 0.862 334 T HN 0.302 nan 8.240 nan 0.000 0.438 335 V N 0.531 120.507 119.914 0.104 0.000 2.392 335 V HA -0.221 3.899 4.120 -0.000 0.000 0.249 335 V C 2.798 178.968 176.094 0.127 0.000 1.059 335 V CA 1.348 63.734 62.300 0.143 0.000 1.051 335 V CB -0.786 31.090 31.823 0.089 0.000 0.658 335 V HN 0.629 nan 8.190 nan 0.000 0.455 336 C N -0.642 118.711 119.300 0.088 0.000 2.418 336 C HA -0.173 4.287 4.460 -0.000 0.000 0.280 336 C C 2.593 177.618 174.990 0.057 0.000 1.223 336 C CA 1.272 60.334 59.018 0.072 0.000 1.736 336 C CB -1.055 26.711 27.740 0.043 0.000 2.056 336 C HN 0.506 nan 8.230 nan 0.000 0.459 337 L N 0.492 121.746 121.223 0.052 0.000 1.990 337 L HA -0.203 4.137 4.340 -0.000 0.000 0.213 337 L C 2.664 179.564 176.870 0.050 0.000 1.072 337 L CA 2.460 57.324 54.840 0.040 0.000 0.755 337 L CB -1.440 40.642 42.059 0.040 0.000 0.889 337 L HN 0.378 nan 8.230 nan 0.000 0.432 338 T N -0.326 114.283 114.554 0.093 0.000 2.624 338 T HA -0.272 4.078 4.350 -0.000 0.000 0.268 338 T C 1.965 176.709 174.700 0.074 0.000 1.041 338 T CA 1.846 64.012 62.100 0.110 0.000 1.159 338 T CB -0.465 68.526 68.868 0.204 0.000 0.863 338 T HN 0.188 nan 8.240 nan 0.000 0.434 339 L N 0.394 121.663 121.223 0.078 0.000 1.970 339 L HA -0.171 4.168 4.340 -0.000 0.000 0.212 339 L C 3.003 179.858 176.870 -0.025 0.000 1.071 339 L CA 1.637 56.501 54.840 0.040 0.000 0.751 339 L CB -1.237 40.862 42.059 0.067 0.000 0.889 339 L HN 0.290 nan 8.230 nan 0.000 0.432 340 T N -0.088 114.444 114.554 -0.038 0.000 2.699 340 T HA -0.261 4.088 4.350 -0.000 0.000 0.268 340 T C 1.868 176.538 174.700 -0.049 0.000 1.036 340 T CA 1.524 63.585 62.100 -0.065 0.000 1.147 340 T CB -0.319 68.521 68.868 -0.047 0.000 0.862 340 T HN 0.490 nan 8.240 nan 0.000 0.446 341 A N 1.367 124.171 122.820 -0.027 0.000 2.015 341 A HA -0.085 4.235 4.320 -0.000 0.000 0.219 341 A C 2.240 179.804 177.584 -0.033 0.000 1.163 341 A CA 1.100 53.119 52.037 -0.030 0.000 0.646 341 A CB -0.227 18.760 19.000 -0.023 0.000 0.806 341 A HN 0.257 nan 8.150 nan 0.000 0.448 342 K N -0.369 120.017 120.400 -0.023 0.000 2.217 342 K HA -0.052 4.268 4.320 -0.000 0.000 0.202 342 K C 1.880 178.458 176.600 -0.037 0.000 1.051 342 K CA 0.964 57.238 56.287 -0.021 0.000 0.952 342 K CB -0.222 32.278 32.500 -0.000 0.000 0.736 342 K HN 0.545 nan 8.250 nan 0.000 0.453 343 R N 0.230 120.697 120.500 -0.055 0.000 2.299 343 R HA 0.150 4.490 4.340 -0.000 0.000 0.197 343 R C 1.798 178.064 176.300 -0.057 0.000 0.971 343 R CA 0.316 56.375 56.100 -0.068 0.000 1.030 343 R CB 0.167 30.405 30.300 -0.104 0.000 0.932 343 R HN 0.101 nan 8.270 nan 0.000 0.477 344 M N -1.452 118.118 119.600 -0.051 0.000 2.545 344 M HA 0.147 4.627 4.480 -0.000 0.000 0.264 344 M C 2.081 178.356 176.300 -0.042 0.000 1.155 344 M CA 0.604 55.875 55.300 -0.048 0.000 1.162 344 M CB 0.403 32.972 32.600 -0.052 0.000 1.330 344 M HN 0.163 nan 8.290 nan 0.000 0.479 345 A N 0.710 123.507 122.820 -0.038 0.000 2.070 345 A HA -0.101 4.219 4.320 -0.000 0.000 0.220 345 A C 2.079 179.648 177.584 -0.025 0.000 1.159 345 A CA 1.265 53.284 52.037 -0.031 0.000 0.656 345 A CB -0.526 18.455 19.000 -0.031 0.000 0.800 345 A HN 0.412 nan 8.150 nan 0.000 0.453 346 R N -0.339 120.144 120.500 -0.028 0.000 2.193 346 R HA 0.012 4.352 4.340 -0.000 0.000 0.213 346 R C 0.610 176.896 176.300 -0.024 0.000 1.055 346 R CA 1.027 57.112 56.100 -0.025 0.000 0.995 346 R CB -0.062 30.221 30.300 -0.029 0.000 0.893 346 R HN 0.408 nan 8.270 nan 0.000 0.459 347 K N 0.639 121.022 120.400 -0.029 0.000 2.576 347 K HA 0.154 4.474 4.320 -0.000 0.000 0.209 347 K C -0.255 176.330 176.600 -0.026 0.000 1.049 347 K CA -0.207 56.063 56.287 -0.028 0.000 1.140 347 K CB 0.509 32.989 32.500 -0.034 0.000 0.871 347 K HN 0.029 nan 8.250 nan 0.000 0.479 348 N N 0.382 119.070 118.700 -0.021 0.000 2.782 348 N HA -0.171 4.569 4.740 -0.000 0.000 0.251 348 N C -0.726 174.768 175.510 -0.027 0.000 1.101 348 N CA 0.840 53.880 53.050 -0.016 0.000 0.764 348 N CB -1.893 36.588 38.487 -0.009 0.000 1.122 348 N HN 0.422 nan 8.380 nan 0.000 0.561 349 C N 1.144 120.422 119.300 -0.037 0.000 2.251 349 C HA 0.733 5.193 4.460 -0.000 0.000 0.323 349 C C 0.356 175.317 174.990 -0.048 0.000 1.241 349 C CA -0.967 58.021 59.018 -0.050 0.000 1.601 349 C CB -0.457 27.245 27.740 -0.062 0.000 2.251 349 C HN 0.321 nan 8.230 nan 0.000 0.488 350 L N 6.840 128.034 121.223 -0.049 0.000 2.358 350 L HA 0.925 5.265 4.340 -0.000 0.000 0.268 350 L C -0.487 176.347 176.870 -0.059 0.000 1.032 350 L CA -0.054 54.757 54.840 -0.047 0.000 0.805 350 L CB 2.069 44.109 42.059 -0.031 0.000 1.253 350 L HN 0.603 nan 8.230 nan 0.000 0.452 351 V N 1.867 121.743 119.914 -0.063 0.000 3.114 351 V HA 0.481 4.600 4.120 -0.000 0.000 0.308 351 V C -0.054 175.993 176.094 -0.078 0.000 1.168 351 V CA -0.781 61.478 62.300 -0.069 0.000 1.015 351 V CB 1.922 33.706 31.823 -0.065 0.000 1.050 351 V HN 0.815 nan 8.190 nan 0.000 0.433 352 K N 0.413 120.766 120.400 -0.078 0.000 2.365 352 K HA 0.308 4.628 4.320 -0.000 0.000 0.195 352 K C 0.009 176.555 176.600 -0.089 0.000 1.079 352 K CA 0.030 56.264 56.287 -0.088 0.000 0.979 352 K CB 0.385 32.838 32.500 -0.079 0.000 0.929 352 K HN 0.588 nan 8.250 nan 0.000 0.523 353 N N 0.619 119.275 118.700 -0.073 0.000 2.384 353 N HA 0.165 4.905 4.740 -0.000 0.000 0.301 353 N C -0.060 175.420 175.510 -0.050 0.000 1.133 353 N CA -0.433 52.580 53.050 -0.062 0.000 0.853 353 N CB 1.681 40.134 38.487 -0.056 0.000 1.241 353 N HN -0.143 nan 8.380 nan 0.000 0.502 354 L N 1.236 122.438 121.223 -0.035 0.000 2.307 354 L HA 0.197 4.537 4.340 -0.000 0.000 0.211 354 L C 1.370 178.232 176.870 -0.014 0.000 1.099 354 L CA 1.569 56.399 54.840 -0.016 0.000 0.816 354 L CB -0.366 41.700 42.059 0.011 0.000 0.952 354 L HN 0.648 nan 8.230 nan 0.000 0.455 355 E N -0.810 119.377 120.200 -0.022 0.000 2.208 355 E HA -0.103 4.247 4.350 -0.000 0.000 0.193 355 E C 2.213 178.797 176.600 -0.026 0.000 0.988 355 E CA 0.800 57.186 56.400 -0.023 0.000 0.828 355 E CB -0.123 29.557 29.700 -0.033 0.000 0.763 355 E HN 0.521 nan 8.360 nan 0.000 0.478 356 A N 1.133 123.932 122.820 -0.035 0.000 1.917 356 A HA -0.197 4.122 4.320 -0.000 0.000 0.219 356 A C 2.468 180.030 177.584 -0.036 0.000 1.182 356 A CA 1.303 53.316 52.037 -0.041 0.000 0.633 356 A CB -0.898 18.072 19.000 -0.050 0.000 0.819 356 A HN 0.143 nan 8.150 nan 0.000 0.448 357 V N 0.265 120.160 119.914 -0.031 0.000 2.511 357 V HA -0.295 3.824 4.120 -0.000 0.000 0.257 357 V C 2.620 178.704 176.094 -0.018 0.000 1.088 357 V CA 2.449 64.732 62.300 -0.028 0.000 1.098 357 V CB -0.613 31.198 31.823 -0.020 0.000 0.674 357 V HN 0.681 nan 8.190 nan 0.000 0.470 358 E N -0.159 120.038 120.200 -0.006 0.000 2.102 358 E HA -0.108 4.242 4.350 -0.000 0.000 0.190 358 E C 2.280 178.876 176.600 -0.006 0.000 0.971 358 E CA 1.320 57.730 56.400 0.017 0.000 0.821 358 E CB -0.110 29.620 29.700 0.051 0.000 0.777 358 E HN 0.644 nan 8.360 nan 0.000 0.460 359 T N 2.196 116.737 114.554 -0.022 0.000 2.760 359 T HA -0.204 4.146 4.350 -0.000 0.000 0.269 359 T C 1.763 176.430 174.700 -0.054 0.000 1.047 359 T CA 1.024 63.101 62.100 -0.038 0.000 1.139 359 T CB -0.235 68.606 68.868 -0.044 0.000 0.855 359 T HN 0.052 nan 8.240 nan 0.000 0.471 360 L N 0.914 122.102 121.223 -0.058 0.000 2.353 360 L HA 0.108 4.448 4.340 -0.000 0.000 0.220 360 L C 2.323 179.149 176.870 -0.074 0.000 1.133 360 L CA 1.329 56.126 54.840 -0.072 0.000 0.798 360 L CB -0.803 41.208 42.059 -0.079 0.000 0.922 360 L HN 0.399 nan 8.230 nan 0.000 0.445 361 G N -3.535 105.222 108.800 -0.072 0.000 3.044 361 G HA2 0.000 3.960 3.960 -0.000 0.000 0.223 361 G HA3 0.000 3.960 3.960 -0.000 0.000 0.223 361 G C 1.272 176.098 174.900 -0.124 0.000 1.123 361 G CA 0.409 45.456 45.100 -0.088 0.000 0.765 361 G HN 0.321 nan 8.290 nan 0.000 0.546 362 S N 0.865 116.495 115.700 -0.116 0.000 2.575 362 S HA 0.111 4.581 4.470 -0.000 0.000 0.215 362 S C 0.917 175.459 174.600 -0.098 0.000 0.966 362 S CA -0.118 58.001 58.200 -0.135 0.000 0.911 362 S CB 0.252 63.386 63.200 -0.110 0.000 0.780 362 S HN 0.310 nan 8.310 nan 0.000 0.514 363 T N 2.214 116.718 114.554 -0.083 0.000 2.907 363 T HA 0.233 4.582 4.350 -0.000 0.000 0.298 363 T C 1.154 175.817 174.700 -0.061 0.000 1.017 363 T CA -0.233 61.827 62.100 -0.067 0.000 1.118 363 T CB 1.277 70.106 68.868 -0.064 0.000 0.948 363 T HN 0.311 nan 8.240 nan 0.000 0.531 364 S N 0.122 115.792 115.700 -0.049 0.000 2.589 364 S HA 0.248 4.718 4.470 -0.000 0.000 0.235 364 S C 0.428 175.012 174.600 -0.026 0.000 1.051 364 S CA -0.420 57.756 58.200 -0.039 0.000 0.978 364 S CB 0.478 63.655 63.200 -0.038 0.000 0.929 364 S HN 0.610 nan 8.310 nan 0.000 0.523 365 T N 2.471 117.009 114.554 -0.025 0.000 3.293 365 T HA 0.483 4.833 4.350 -0.000 0.000 0.320 365 T C -1.094 173.597 174.700 -0.015 0.000 0.995 365 T CA -0.344 61.748 62.100 -0.013 0.000 1.041 365 T CB 1.242 70.104 68.868 -0.010 0.000 1.058 365 T HN 0.217 nan 8.240 nan 0.000 0.453 366 I N 2.463 123.031 120.570 -0.004 0.000 2.321 366 I HA 0.367 4.537 4.170 -0.000 0.000 0.291 366 I C 0.108 176.233 176.117 0.013 0.000 0.998 366 I CA -0.630 60.669 61.300 -0.002 0.000 1.227 366 I CB 0.936 38.941 38.000 0.007 0.000 1.368 366 I HN 0.544 nan 8.210 nan 0.000 0.466 367 C N 4.887 124.187 119.300 -0.000 0.000 2.307 367 C HA 0.560 5.020 4.460 -0.000 0.000 0.340 367 C C 0.786 175.786 174.990 0.016 0.000 1.275 367 C CA -0.112 58.907 59.018 0.001 0.000 1.811 367 C CB 0.572 28.292 27.740 -0.033 0.000 2.372 367 C HN 0.850 nan 8.230 nan 0.000 0.531 371 T N 0.734 115.247 114.554 -0.068 0.000 2.851 371 T HA 0.363 4.713 4.350 -0.000 0.000 0.298 371 T C 0.801 175.463 174.700 -0.063 0.000 0.977 371 T CA 1.014 63.075 62.100 -0.066 0.000 1.126 371 T CB 1.143 69.972 68.868 -0.064 0.000 0.916 371 T HN 0.647 nan 8.240 nan 0.000 0.529 372 G N 3.222 111.985 108.800 -0.062 0.000 2.304 372 G HA2 -0.329 3.631 3.960 -0.000 0.000 0.252 372 G HA3 -0.329 3.631 3.960 -0.000 0.000 0.252 372 G C 0.990 175.861 174.900 -0.049 0.000 1.014 372 G CA 0.766 45.833 45.100 -0.054 0.000 0.619 372 G HN 0.706 nan 8.290 nan 0.000 0.525 373 T N 0.337 114.856 114.554 -0.057 0.000 3.252 373 T HA 0.327 4.676 4.350 -0.000 0.000 0.233 373 T C 2.312 176.912 174.700 -0.167 0.000 0.975 373 T CA 0.945 63.020 62.100 -0.041 0.000 1.318 373 T CB -0.237 68.629 68.868 -0.003 0.000 1.014 373 T HN 0.134 nan 8.240 nan 0.000 0.418 374 L N 1.656 122.750 121.223 -0.215 0.000 2.217 374 L HA 0.082 4.422 4.340 -0.000 0.000 0.211 374 L C 1.728 178.452 176.870 -0.243 0.000 1.107 374 L CA 0.691 55.328 54.840 -0.339 0.000 0.783 374 L CB -0.495 41.418 42.059 -0.243 0.000 0.919 374 L HN 0.483 nan 8.230 nan 0.000 0.442 375 T N -4.648 109.813 114.554 -0.155 0.000 2.876 375 T HA 0.243 4.593 4.350 -0.000 0.000 0.277 375 T C 0.502 175.147 174.700 -0.093 0.000 0.997 375 T CA -0.687 61.345 62.100 -0.114 0.000 0.966 375 T CB 1.220 70.037 68.868 -0.085 0.000 1.312 375 T HN 0.078 nan 8.240 nan 0.000 0.598 376 Q N -0.138 119.620 119.800 -0.071 0.000 2.246 376 Q HA 0.244 4.584 4.340 -0.000 0.000 0.222 376 Q C -0.004 175.969 176.000 -0.045 0.000 0.851 376 Q CA -0.254 55.516 55.803 -0.055 0.000 0.945 376 Q CB 0.192 28.902 28.738 -0.048 0.000 1.122 376 Q HN 0.729 nan 8.270 nan 0.000 0.508 377 N N 2.069 120.741 118.700 -0.047 0.000 2.671 377 N HA -0.216 4.524 4.740 -0.000 0.000 0.261 377 N C -1.276 174.216 175.510 -0.030 0.000 1.053 377 N CA 0.835 53.861 53.050 -0.039 0.000 0.732 377 N CB -0.642 37.820 38.487 -0.041 0.000 0.887 377 N HN 0.434 nan 8.380 nan 0.000 0.546 378 R N 1.543 122.027 120.500 -0.027 0.000 2.658 378 R HA 0.190 4.530 4.340 -0.000 0.000 0.287 378 R C -0.514 175.775 176.300 -0.018 0.000 1.209 378 R CA -0.730 55.359 56.100 -0.018 0.000 1.046 378 R CB 0.317 30.609 30.300 -0.014 0.000 1.247 378 R HN 0.197 nan 8.270 nan 0.000 0.405 379 M N 2.589 122.180 119.600 -0.014 0.000 2.255 379 M HA 0.065 4.545 4.480 -0.000 0.000 0.356 379 M C -0.883 175.409 176.300 -0.014 0.000 1.338 379 M CA 1.611 56.903 55.300 -0.013 0.000 0.962 379 M CB 0.628 33.222 32.600 -0.010 0.000 1.877 379 M HN 0.580 nan 8.290 nan 0.000 0.463 380 T N 3.616 118.156 114.554 -0.023 0.000 2.993 380 T HA 0.399 4.749 4.350 -0.000 0.000 0.312 380 T C -0.999 173.672 174.700 -0.049 0.000 1.115 380 T CA -0.822 61.258 62.100 -0.032 0.000 1.027 380 T CB 1.341 70.183 68.868 -0.043 0.000 1.116 380 T HN 0.345 nan 8.240 nan 0.000 0.464 381 V N 3.134 123.016 119.914 -0.053 0.000 2.434 381 V HA 0.253 4.373 4.120 -0.000 0.000 0.281 381 V C 1.233 177.237 176.094 -0.149 0.000 1.005 381 V CA 0.797 63.053 62.300 -0.074 0.000 1.089 381 V CB 0.071 31.853 31.823 -0.068 0.000 0.978 381 V HN 1.170 nan 8.190 nan 0.000 0.474 382 A N 4.610 127.337 122.820 -0.155 0.000 1.909 382 A HA 0.242 4.562 4.320 -0.000 0.000 0.210 382 A C 0.800 178.070 177.584 -0.523 0.000 1.273 382 A CA 0.614 52.463 52.037 -0.313 0.000 0.654 382 A CB 0.012 18.884 19.000 -0.213 0.000 0.945 382 A HN 0.825 nan 8.150 nan 0.000 0.471 383 H N -2.666 116.372 119.070 -0.053 0.000 2.894 383 H HA 0.770 5.326 4.556 -0.000 0.000 0.368 383 H C -1.134 174.205 175.328 0.019 0.000 1.181 383 H CA -0.611 55.421 56.048 -0.027 0.000 1.146 383 H CB 1.740 31.513 29.762 0.018 0.000 1.839 383 H HN 0.278 nan 8.280 nan 0.000 0.557 384 M N 0.920 120.663 119.600 0.237 0.000 2.421 384 M HA 0.167 4.647 4.480 -0.000 0.000 0.287 384 M C -1.729 174.817 176.300 0.410 0.000 1.183 384 M CA -0.355 55.097 55.300 0.254 0.000 0.916 384 M CB 2.813 35.501 32.600 0.146 0.000 1.701 384 M HN 0.580 nan 8.290 nan 0.000 0.470 385 W N 3.693 125.127 121.300 0.223 0.000 2.351 385 W HA 0.684 5.344 4.660 -0.000 0.000 0.320 385 W C -0.871 175.813 176.519 0.276 0.000 0.947 385 W CA -0.341 57.149 57.345 0.240 0.000 1.565 385 W CB 0.833 30.419 29.460 0.211 0.000 1.409 385 W HN 0.617 nan 8.180 nan 0.000 0.399 386 S N 2.631 118.323 115.700 -0.012 0.000 2.542 386 S HA 0.473 4.943 4.470 -0.000 0.000 0.293 386 S C -0.515 173.940 174.600 -0.242 0.000 1.089 386 S CA -0.681 57.427 58.200 -0.153 0.000 0.961 386 S CB 2.028 65.238 63.200 0.015 0.000 1.062 386 S HN 0.359 nan 8.310 nan 0.000 0.483 387 D N 1.090 121.268 120.400 -0.370 0.000 2.800 387 D HA -0.164 4.476 4.640 -0.000 0.000 0.232 387 D C 0.231 176.297 176.300 -0.389 0.000 1.137 387 D CA 1.403 55.167 54.000 -0.393 0.000 0.718 387 D CB -1.837 38.759 40.800 -0.340 0.000 1.084 387 D HN 0.896 nan 8.370 nan 0.000 0.432 388 N N -0.143 118.135 118.700 -0.702 0.000 2.710 388 N HA -0.289 4.451 4.740 -0.000 0.000 0.249 388 N C -0.667 174.725 175.510 -0.196 0.000 1.059 388 N CA 1.781 54.529 53.050 -0.503 0.000 0.720 388 N CB -0.448 38.022 38.487 -0.029 0.000 0.983 388 N HN 0.797 nan 8.380 nan 0.000 0.544 389 Q N 0.109 119.677 119.800 -0.386 0.000 2.289 389 Q HA 0.359 4.699 4.340 -0.000 0.000 0.270 389 Q C -0.810 175.088 176.000 -0.170 0.000 1.038 389 Q CA -0.863 54.827 55.803 -0.188 0.000 0.812 389 Q CB 0.873 29.447 28.738 -0.274 0.000 1.300 389 Q HN 0.185 nan 8.270 nan 0.000 0.427 390 I N 4.673 125.245 120.570 0.003 0.000 2.436 390 I HA 0.156 4.326 4.170 -0.000 0.000 0.289 390 I C -0.036 176.010 176.117 -0.119 0.000 1.083 390 I CA 0.228 61.571 61.300 0.071 0.000 1.372 390 I CB -0.329 37.713 38.000 0.069 0.000 1.408 390 I HN 0.675 nan 8.210 nan 0.000 0.516 391 H N 4.229 123.393 119.070 0.157 0.000 2.595 391 H HA 0.530 5.086 4.556 -0.000 0.000 0.346 391 H C -0.132 175.286 175.328 0.150 0.000 1.181 391 H CA -0.815 55.319 56.048 0.145 0.000 1.242 391 H CB 1.411 31.289 29.762 0.193 0.000 1.652 391 H HN 0.549 nan 8.280 nan 0.000 0.548 392 E N 0.665 120.978 120.200 0.188 0.000 2.263 392 E HA 0.690 5.040 4.350 -0.000 0.000 0.268 392 E C -1.356 175.089 176.600 -0.259 0.000 0.884 392 E CA -1.406 54.998 56.400 0.006 0.000 0.766 392 E CB 1.866 31.646 29.700 0.133 0.000 1.196 392 E HN 0.651 nan 8.360 nan 0.000 0.416 393 A N 2.620 125.171 122.820 -0.449 0.000 2.287 393 A HA 0.305 4.625 4.320 -0.000 0.000 0.273 393 A C -0.284 177.136 177.584 -0.273 0.000 1.091 393 A CA -0.531 51.215 52.037 -0.484 0.000 0.817 393 A CB 0.702 19.400 19.000 -0.504 0.000 1.069 393 A HN 0.782 nan 8.150 nan 0.000 0.492 394 D N -0.244 120.044 120.400 -0.188 0.000 2.308 394 D HA 0.335 4.975 4.640 -0.000 0.000 0.251 394 D C 1.084 177.316 176.300 -0.114 0.000 1.127 394 D CA 0.780 54.712 54.000 -0.113 0.000 0.876 394 D CB 0.964 41.728 40.800 -0.060 0.000 1.176 394 D HN 0.477 nan 8.370 nan 0.000 0.446 395 T N -1.184 113.309 114.554 -0.101 0.000 3.040 395 T HA 0.135 4.485 4.350 -0.000 0.000 0.266 395 T C 0.931 175.591 174.700 -0.067 0.000 1.005 395 T CA -0.147 61.896 62.100 -0.095 0.000 0.906 395 T CB -0.300 68.501 68.868 -0.112 0.000 1.082 395 T HN 0.411 nan 8.240 nan 0.000 0.531 396 T N 0.345 114.866 114.554 -0.055 0.000 2.849 396 T HA 0.369 4.719 4.350 -0.000 0.000 0.284 396 T C 0.961 175.640 174.700 -0.034 0.000 1.004 396 T CA -0.456 61.618 62.100 -0.043 0.000 1.021 396 T CB 1.390 70.237 68.868 -0.036 0.000 1.013 396 T HN 0.093 nan 8.240 nan 0.000 0.527 397 E N 1.296 121.479 120.200 -0.029 0.000 2.051 397 E HA -0.115 4.235 4.350 -0.000 0.000 0.192 397 E C 1.471 178.060 176.600 -0.019 0.000 0.991 397 E CA 1.515 57.901 56.400 -0.023 0.000 0.799 397 E CB -0.240 29.448 29.700 -0.020 0.000 0.748 397 E HN 0.848 nan 8.360 nan 0.000 0.449 398 N N 0.681 119.371 118.700 -0.018 0.000 2.276 398 N HA -0.026 4.714 4.740 -0.000 0.000 0.212 398 N C -0.652 174.849 175.510 -0.015 0.000 1.127 398 N CA -0.048 52.993 53.050 -0.015 0.000 0.834 398 N CB 0.214 38.694 38.487 -0.012 0.000 1.014 398 N HN -0.134 nan 8.380 nan 0.000 0.491 399 Q N -0.259 119.530 119.800 -0.018 0.000 2.439 399 Q HA -0.153 4.187 4.340 -0.000 0.000 0.361 399 Q C -0.190 175.801 176.000 -0.014 0.000 1.408 399 Q CA 0.531 56.324 55.803 -0.017 0.000 1.052 399 Q CB -2.247 26.484 28.738 -0.011 0.000 1.233 399 Q HN 0.484 nan 8.270 nan 0.000 0.347 400 S N -1.551 114.139 115.700 -0.017 0.000 2.501 400 S HA 0.090 4.560 4.470 -0.000 0.000 0.220 400 S C 1.204 175.797 174.600 -0.012 0.000 0.997 400 S CA 0.384 58.576 58.200 -0.013 0.000 0.919 400 S CB 0.445 63.637 63.200 -0.013 0.000 0.778 400 S HN 0.696 nan 8.310 nan 0.000 0.523 401 G N 1.344 110.134 108.800 -0.016 0.000 2.580 401 G HA2 0.465 4.425 3.960 -0.000 0.000 0.225 401 G HA3 0.465 4.425 3.960 -0.000 0.000 0.225 401 G C -0.378 174.520 174.900 -0.003 0.000 1.521 401 G CA -0.142 44.950 45.100 -0.013 0.000 1.068 401 G HN 0.246 nan 8.290 nan 0.000 0.564 402 V N -0.928 118.989 119.914 0.005 0.000 3.130 402 V HA 0.550 4.670 4.120 -0.000 0.000 0.310 402 V C 0.321 176.445 176.094 0.049 0.000 1.158 402 V CA -0.493 61.818 62.300 0.018 0.000 1.029 402 V CB 1.566 33.400 31.823 0.017 0.000 1.057 402 V HN 1.045 nan 8.190 nan 0.000 0.436 403 S N 1.130 116.865 115.700 0.058 0.000 2.585 403 S HA 0.402 4.872 4.470 -0.000 0.000 0.273 403 S C 0.616 175.314 174.600 0.162 0.000 1.339 403 S CA -0.036 58.242 58.200 0.130 0.000 1.028 403 S CB 0.471 63.671 63.200 0.000 0.000 0.906 403 S HN 0.737 nan 8.310 nan 0.000 0.528 404 F N 0.128 119.979 119.950 -0.165 0.000 2.148 404 F HA 0.510 5.037 4.527 -0.000 0.000 0.285 404 F C 0.626 176.338 175.800 -0.146 0.000 1.092 404 F CA -0.110 57.816 58.000 -0.125 0.000 1.218 404 F CB -0.067 38.845 39.000 -0.146 0.000 1.059 404 F HN 0.590 nan 8.300 nan 0.000 0.490 405 D N -1.110 118.605 120.400 -1.141 0.000 2.706 405 D HA 0.186 4.826 4.640 -0.000 0.000 0.227 405 D C -0.610 174.963 176.300 -1.211 0.000 1.233 405 D CA -0.640 52.850 54.000 -0.850 0.000 0.768 405 D CB 1.828 42.315 40.800 -0.522 0.000 1.490 405 D HN 0.085 nan 8.370 nan 0.000 0.458 406 K N 1.504 121.524 120.400 -0.634 0.000 2.588 406 K HA 0.053 4.373 4.320 -0.000 0.000 0.216 406 K C 1.068 177.623 176.600 -0.075 0.000 1.382 406 K CA 0.829 56.867 56.287 -0.415 0.000 1.008 406 K CB 0.231 32.566 32.500 -0.276 0.000 1.138 406 K HN 0.581 nan 8.250 nan 0.000 0.619 407 T N -1.205 113.285 114.554 -0.107 0.000 2.698 407 T HA -0.014 4.336 4.350 -0.000 0.000 0.260 407 T C 1.245 175.959 174.700 0.025 0.000 1.044 407 T CA 0.957 63.043 62.100 -0.024 0.000 1.149 407 T CB -0.409 68.442 68.868 -0.029 0.000 0.864 407 T HN 0.092 nan 8.240 nan 0.000 0.419 408 S N 0.841 116.552 115.700 0.019 0.000 2.561 408 S HA 0.323 4.793 4.470 -0.000 0.000 0.294 408 S C 1.591 176.238 174.600 0.079 0.000 1.294 408 S CA 0.046 58.280 58.200 0.056 0.000 1.055 408 S CB 0.234 63.447 63.200 0.021 0.000 0.819 408 S HN 0.695 nan 8.310 nan 0.000 0.503 409 A N 4.528 127.387 122.820 0.065 0.000 1.930 409 A HA -0.002 4.318 4.320 -0.000 0.000 0.217 409 A C 2.286 179.890 177.584 0.033 0.000 1.175 409 A CA 1.997 54.063 52.037 0.047 0.000 0.627 409 A CB -1.524 17.504 19.000 0.047 0.000 0.815 409 A HN 0.909 nan 8.150 nan 0.000 0.443 410 T N -0.771 113.798 114.554 0.024 0.000 2.699 410 T HA -0.252 4.098 4.350 -0.000 0.000 0.268 410 T C 1.563 176.274 174.700 0.019 0.000 1.036 410 T CA 1.391 63.488 62.100 -0.005 0.000 1.147 410 T CB -0.495 68.340 68.868 -0.056 0.000 0.862 410 T HN 0.750 nan 8.240 nan 0.000 0.446 411 W N 1.904 123.126 121.300 -0.131 0.000 2.318 411 W HA -0.199 4.461 4.660 -0.000 0.000 0.313 411 W C 1.589 178.046 176.519 -0.103 0.000 1.221 411 W CA 1.007 58.267 57.345 -0.142 0.000 1.266 411 W CB -0.477 28.862 29.460 -0.202 0.000 1.150 411 W HN 0.263 nan 8.180 nan 0.000 0.496 412 L N 1.204 122.188 121.223 -0.398 0.000 2.046 412 L HA -0.189 4.151 4.340 -0.000 0.000 0.208 412 L C 2.913 179.559 176.870 -0.373 0.000 1.077 412 L CA 1.538 56.075 54.840 -0.505 0.000 0.747 412 L CB -1.468 40.463 42.059 -0.213 0.000 0.896 412 L HN 0.007 nan 8.230 nan 0.000 0.432 413 A N -0.299 122.413 122.820 -0.180 0.000 2.067 413 A HA -0.158 4.162 4.320 -0.000 0.000 0.219 413 A C 2.174 179.665 177.584 -0.154 0.000 1.158 413 A CA 1.312 53.319 52.037 -0.050 0.000 0.661 413 A CB -0.390 18.666 19.000 0.093 0.000 0.801 413 A HN 0.341 nan 8.150 nan 0.000 0.452 414 L N -0.844 120.212 121.223 -0.278 0.000 2.127 414 L HA 0.056 4.395 4.340 -0.000 0.000 0.203 414 L C 2.534 179.113 176.870 -0.485 0.000 1.080 414 L CA 2.292 56.940 54.840 -0.320 0.000 0.768 414 L CB -0.675 41.257 42.059 -0.211 0.000 0.924 414 L HN 0.296 nan 8.230 nan 0.000 0.444 415 S N -0.562 114.641 115.700 -0.829 0.000 2.382 415 S HA -0.246 4.224 4.470 -0.000 0.000 0.228 415 S C 2.316 176.624 174.600 -0.486 0.000 1.027 415 S CA 1.479 59.152 58.200 -0.879 0.000 0.991 415 S CB -0.339 62.038 63.200 -1.371 0.000 0.823 415 S HN 0.512 nan 8.310 nan 0.000 0.469 416 R N 0.276 120.520 120.500 -0.426 0.000 2.073 416 R HA 0.016 4.355 4.340 -0.000 0.000 0.234 416 R C 2.276 178.418 176.300 -0.263 0.000 1.134 416 R CA 1.924 57.802 56.100 -0.370 0.000 0.952 416 R CB -0.410 29.690 30.300 -0.333 0.000 0.850 416 R HN 0.517 nan 8.270 nan 0.000 0.433 417 I N 0.306 120.795 120.570 -0.135 0.000 2.179 417 I HA -0.242 3.928 4.170 -0.000 0.000 0.242 417 I C 2.493 178.676 176.117 0.110 0.000 1.088 417 I CA 1.335 62.653 61.300 0.030 0.000 1.357 417 I CB -0.453 37.673 38.000 0.210 0.000 1.051 417 I HN 0.286 nan 8.210 nan 0.000 0.409 418 A N 0.814 123.678 122.820 0.074 0.000 2.015 418 A HA -0.071 4.249 4.320 -0.000 0.000 0.219 418 A C 2.369 179.961 177.584 0.012 0.000 1.163 418 A CA 1.784 53.905 52.037 0.141 0.000 0.646 418 A CB -1.127 17.819 19.000 -0.090 0.000 0.806 418 A HN 0.486 nan 8.150 nan 0.000 0.448 419 G N -1.255 107.487 108.800 -0.096 0.000 2.494 419 G HA2 0.185 4.145 3.960 -0.000 0.000 0.216 419 G HA3 0.185 4.145 3.960 -0.000 0.000 0.216 419 G C 1.233 176.047 174.900 -0.143 0.000 1.140 419 G CA 0.773 45.798 45.100 -0.126 0.000 0.801 419 G HN 0.328 nan 8.290 nan 0.000 0.536 420 L N -0.007 121.103 121.223 -0.189 0.000 2.269 420 L HA 0.314 4.654 4.340 -0.000 0.000 0.200 420 L C 1.724 178.564 176.870 -0.051 0.000 1.069 420 L CA -0.068 54.615 54.840 -0.261 0.000 0.804 420 L CB -0.669 41.009 42.059 -0.635 0.000 0.987 420 L HN 0.189 nan 8.230 nan 0.000 0.468 421 C N 3.066 122.375 119.300 0.015 0.000 3.031 421 C HA 0.386 4.846 4.460 -0.000 0.000 0.489 421 C C 0.344 175.367 174.990 0.054 0.000 1.020 421 C CA -0.146 58.923 59.018 0.084 0.000 1.104 421 C CB -2.801 24.980 27.740 0.069 0.000 1.470 421 C HN 0.499 nan 8.230 nan 0.000 0.583 422 N N 2.154 120.878 118.700 0.040 0.000 2.846 422 N HA 0.264 5.004 4.740 -0.000 0.000 0.248 422 N C -0.251 175.257 175.510 -0.003 0.000 1.097 422 N CA -0.542 52.512 53.050 0.008 0.000 1.013 422 N CB 1.018 39.498 38.487 -0.011 0.000 1.686 422 N HN 0.604 nan 8.380 nan 0.000 0.520 423 R N 0.622 121.110 120.500 -0.019 0.000 2.476 423 R HA 0.429 4.769 4.340 -0.000 0.000 0.276 423 R C 0.381 176.650 176.300 -0.052 0.000 0.941 423 R CA -0.348 55.739 56.100 -0.021 0.000 1.088 423 R CB 0.804 31.101 30.300 -0.005 0.000 1.216 423 R HN 0.469 nan 8.270 nan 0.000 0.533 424 A N 1.720 124.489 122.820 -0.086 0.000 2.425 424 A HA 0.474 4.794 4.320 -0.000 0.000 0.249 424 A C 0.272 177.737 177.584 -0.199 0.000 1.084 424 A CA -0.313 51.643 52.037 -0.135 0.000 0.781 424 A CB 0.495 19.398 19.000 -0.161 0.000 1.019 424 A HN 0.101 nan 8.150 nan 0.000 0.490 425 V N -0.576 119.217 119.914 -0.202 0.000 2.841 425 V HA 0.690 4.810 4.120 -0.000 0.000 0.310 425 V C -0.631 175.344 176.094 -0.199 0.000 1.090 425 V CA -1.083 61.090 62.300 -0.213 0.000 0.930 425 V CB 1.242 33.023 31.823 -0.070 0.000 1.014 425 V HN 0.669 nan 8.190 nan 0.000 0.425 426 F N 2.871 122.824 119.950 0.006 0.000 2.543 426 F HA 0.297 4.824 4.527 -0.000 0.000 0.375 426 F C 1.370 177.174 175.800 0.005 0.000 1.075 426 F CA -0.024 57.979 58.000 0.005 0.000 1.225 426 F CB 0.627 39.629 39.000 0.004 0.000 1.099 426 F HN 0.554 nan 8.300 nan 0.000 0.561 427 Q N 2.321 122.234 119.800 0.188 0.000 2.354 427 Q HA 0.074 4.414 4.340 -0.000 0.000 0.310 427 Q C 0.222 176.284 176.000 0.103 0.000 1.104 427 Q CA -0.003 55.865 55.803 0.108 0.000 0.968 427 Q CB 0.428 29.216 28.738 0.082 0.000 1.251 427 Q HN 0.755 nan 8.270 nan 0.000 0.411 428 A N 3.259 126.120 122.820 0.068 0.000 2.445 428 A HA 0.137 4.457 4.320 -0.000 0.000 0.242 428 A C 0.250 177.857 177.584 0.039 0.000 1.075 428 A CA -0.266 51.803 52.037 0.053 0.000 0.777 428 A CB 0.121 19.144 19.000 0.039 0.000 1.013 428 A HN 0.864 nan 8.150 nan 0.000 0.493 429 N N 0.544 119.261 118.700 0.027 0.000 2.725 429 N HA -0.132 4.608 4.740 -0.000 0.000 0.256 429 N C -0.231 175.282 175.510 0.004 0.000 1.087 429 N CA 1.383 54.440 53.050 0.012 0.000 0.690 429 N CB -1.312 37.182 38.487 0.012 0.000 0.891 429 N HN 0.818 nan 8.380 nan 0.000 0.553 430 Q N -0.859 118.935 119.800 -0.010 0.000 2.023 430 Q HA 0.103 4.443 4.340 -0.000 0.000 0.211 430 Q C 0.285 176.240 176.000 -0.074 0.000 0.787 430 Q CA -0.195 55.588 55.803 -0.034 0.000 1.035 430 Q CB 0.530 29.253 28.738 -0.025 0.000 1.221 430 Q HN 0.379 nan 8.270 nan 0.000 0.443 431 E N 0.633 120.796 120.200 -0.063 0.000 2.515 431 E HA -0.107 4.242 4.350 -0.000 0.000 0.201 431 E C 1.425 177.987 176.600 -0.063 0.000 1.071 431 E CA 0.297 56.651 56.400 -0.076 0.000 0.880 431 E CB 0.190 29.860 29.700 -0.051 0.000 0.828 431 E HN 0.261 nan 8.360 nan 0.000 0.540 432 N N 0.597 119.267 118.700 -0.050 0.000 2.349 432 N HA -0.027 4.713 4.740 -0.000 0.000 0.180 432 N C 0.464 175.947 175.510 -0.044 0.000 1.024 432 N CA 0.213 53.239 53.050 -0.039 0.000 0.869 432 N CB 0.290 38.761 38.487 -0.026 0.000 1.022 432 N HN 0.066 nan 8.380 nan 0.000 0.433 433 L N 2.423 123.617 121.223 -0.048 0.000 2.397 433 L HA 0.270 4.610 4.340 -0.000 0.000 0.271 433 L C -1.942 174.886 176.870 -0.070 0.000 1.148 433 L CA -1.635 53.177 54.840 -0.046 0.000 0.825 433 L CB 0.656 42.695 42.059 -0.034 0.000 1.117 433 L HN 0.106 nan 8.230 nan 0.000 0.456 434 P HA -0.050 nan 4.420 nan 0.000 0.269 434 P C 0.866 178.114 177.300 -0.087 0.000 1.211 434 P CA -0.283 62.779 63.100 -0.063 0.000 0.781 434 P CB 0.444 32.121 31.700 -0.038 0.000 0.877 435 I N 1.019 121.527 120.570 -0.103 0.000 2.208 435 I HA -0.201 3.968 4.170 -0.000 0.000 0.245 435 I C 1.940 178.037 176.117 -0.034 0.000 1.097 435 I CA 1.838 63.057 61.300 -0.134 0.000 1.363 435 I CB -1.506 36.437 38.000 -0.094 0.000 1.051 435 I HN 0.390 nan 8.210 nan 0.000 0.413 436 L N 0.002 121.220 121.223 -0.010 0.000 2.551 436 L HA -0.085 4.255 4.340 -0.000 0.000 0.228 436 L C 1.993 178.872 176.870 0.015 0.000 1.153 436 L CA 0.793 55.643 54.840 0.016 0.000 0.851 436 L CB -0.439 41.622 42.059 0.003 0.000 0.959 436 L HN 0.272 nan 8.230 nan 0.000 0.451 437 K N 0.411 120.811 120.400 0.000 0.000 2.380 437 K HA 0.113 4.433 4.320 -0.000 0.000 0.198 437 K C 0.444 177.052 176.600 0.012 0.000 1.070 437 K CA -0.249 56.040 56.287 0.003 0.000 1.040 437 K CB 0.522 33.018 32.500 -0.007 0.000 0.903 437 K HN 0.299 nan 8.250 nan 0.000 0.549 438 R N 1.295 121.801 120.500 0.010 0.000 2.347 438 R HA 0.435 4.775 4.340 -0.000 0.000 0.304 438 R C -0.219 176.144 176.300 0.105 0.000 1.072 438 R CA -0.329 55.788 56.100 0.029 0.000 0.980 438 R CB 0.680 30.954 30.300 -0.044 0.000 0.986 438 R HN -0.171 nan 8.270 nan 0.000 0.448 439 A N 3.295 126.167 122.820 0.088 0.000 2.507 439 A HA 0.310 4.630 4.320 -0.000 0.000 0.235 439 A C -0.091 177.575 177.584 0.137 0.000 1.070 439 A CA -0.332 51.758 52.037 0.089 0.000 0.768 439 A CB 0.610 19.644 19.000 0.057 0.000 1.011 439 A HN 0.565 nan 8.150 nan 0.000 0.502 440 V N 0.932 120.898 119.914 0.087 0.000 2.656 440 V HA 0.577 4.697 4.120 -0.000 0.000 0.307 440 V C 0.423 176.518 176.094 0.002 0.000 1.051 440 V CA -0.195 62.131 62.300 0.044 0.000 0.893 440 V CB 1.816 33.633 31.823 -0.010 0.000 0.999 440 V HN 1.228 nan 8.190 nan 0.000 0.426 441 A N 3.387 126.196 122.820 -0.018 0.000 2.527 441 A HA 0.835 5.155 4.320 -0.000 0.000 0.313 441 A C 0.513 178.072 177.584 -0.042 0.000 1.410 441 A CA 0.576 52.601 52.037 -0.020 0.000 1.060 441 A CB -0.398 18.596 19.000 -0.010 0.000 1.137 441 A HN 1.601 nan 8.150 nan 0.000 0.542 442 G N 2.011 110.790 108.800 -0.035 0.000 2.321 442 G HA2 0.424 4.384 3.960 -0.000 0.000 0.298 442 G HA3 0.424 4.384 3.960 -0.000 0.000 0.298 442 G C -1.219 173.659 174.900 -0.036 0.000 1.385 442 G CA -0.239 44.835 45.100 -0.043 0.000 0.856 442 G HN 0.728 nan 8.290 nan 0.000 0.584 443 D N 0.048 120.423 120.400 -0.043 0.000 2.414 443 D HA 0.573 5.213 4.640 -0.000 0.000 0.251 443 D C 1.732 178.008 176.300 -0.041 0.000 1.252 443 D CA 0.351 54.326 54.000 -0.042 0.000 0.999 443 D CB 0.507 41.273 40.800 -0.057 0.000 1.093 443 D HN 0.855 nan 8.370 nan 0.000 0.515 444 A N 0.779 123.577 122.820 -0.037 0.000 1.836 444 A HA -0.241 4.079 4.320 -0.000 0.000 0.215 444 A C 2.279 179.844 177.584 -0.030 0.000 1.214 444 A CA 3.540 55.560 52.037 -0.028 0.000 0.636 444 A CB -1.601 17.385 19.000 -0.024 0.000 0.847 444 A HN 0.760 nan 8.150 nan 0.000 0.451 445 S N -0.097 115.580 115.700 -0.039 0.000 2.372 445 S HA -0.281 4.188 4.470 -0.000 0.000 0.227 445 S C 1.733 176.322 174.600 -0.019 0.000 1.044 445 S CA 1.823 60.007 58.200 -0.026 0.000 1.050 445 S CB -0.757 62.416 63.200 -0.044 0.000 0.901 445 S HN 0.648 nan 8.310 nan 0.000 0.447 446 E N 1.048 121.222 120.200 -0.042 0.000 2.150 446 E HA -0.044 4.306 4.350 -0.000 0.000 0.193 446 E C 2.290 178.858 176.600 -0.054 0.000 0.985 446 E CA 1.013 57.389 56.400 -0.040 0.000 0.814 446 E CB -0.183 29.482 29.700 -0.058 0.000 0.752 446 E HN 0.603 nan 8.360 nan 0.000 0.466 447 S N 0.937 116.605 115.700 -0.054 0.000 2.356 447 S HA -0.200 4.270 4.470 -0.000 0.000 0.223 447 S C 2.147 176.729 174.600 -0.030 0.000 1.032 447 S CA 1.024 59.188 58.200 -0.060 0.000 1.005 447 S CB -0.240 62.940 63.200 -0.033 0.000 0.867 447 S HN 0.388 nan 8.310 nan 0.000 0.449 448 A N 2.113 124.927 122.820 -0.010 0.000 1.859 448 A HA -0.126 4.194 4.320 -0.000 0.000 0.217 448 A C 2.146 179.738 177.584 0.013 0.000 1.198 448 A CA 1.590 53.630 52.037 0.006 0.000 0.629 448 A CB -1.043 17.959 19.000 0.004 0.000 0.830 448 A HN 0.450 nan 8.150 nan 0.000 0.446 449 L N -0.902 120.329 121.223 0.013 0.000 1.971 449 L HA -0.229 4.110 4.340 -0.000 0.000 0.215 449 L C 2.683 179.557 176.870 0.006 0.000 1.072 449 L CA 1.682 56.536 54.840 0.022 0.000 0.758 449 L CB -0.909 41.181 42.059 0.050 0.000 0.889 449 L HN 0.471 nan 8.230 nan 0.000 0.433 450 L N 0.207 121.403 121.223 -0.045 0.000 1.997 450 L HA -0.309 4.031 4.340 -0.000 0.000 0.216 450 L C 2.853 179.742 176.870 0.031 0.000 1.074 450 L CA 1.907 56.679 54.840 -0.113 0.000 0.763 450 L CB -0.249 41.608 42.059 -0.336 0.000 0.890 450 L HN 0.335 nan 8.230 nan 0.000 0.434 451 K N -1.274 119.184 120.400 0.096 0.000 2.057 451 K HA -0.209 4.111 4.320 -0.000 0.000 0.206 451 K C 2.153 178.845 176.600 0.155 0.000 1.050 451 K CA 1.519 57.947 56.287 0.236 0.000 0.935 451 K CB -0.469 32.139 32.500 0.180 0.000 0.715 451 K HN 0.446 nan 8.250 nan 0.000 0.439 452 C N 1.072 120.429 119.300 0.094 0.000 2.440 452 C HA -0.055 4.405 4.460 -0.000 0.000 0.278 452 C C 2.468 177.542 174.990 0.139 0.000 1.295 452 C CA 0.381 59.449 59.018 0.084 0.000 1.738 452 C CB -0.698 27.069 27.740 0.046 0.000 1.987 452 C HN 0.341 nan 8.230 nan 0.000 0.492 453 I N 0.756 121.402 120.570 0.128 0.000 2.333 453 I HA -0.065 4.105 4.170 -0.000 0.000 0.246 453 I C 2.439 178.636 176.117 0.132 0.000 1.106 453 I CA 1.447 62.825 61.300 0.131 0.000 1.411 453 I CB -1.724 36.294 38.000 0.031 0.000 1.082 453 I HN 0.384 nan 8.210 nan 0.000 0.420 454 E N 1.084 121.378 120.200 0.156 0.000 2.219 454 E HA -0.238 4.112 4.350 -0.000 0.000 0.198 454 E C 2.023 178.693 176.600 0.118 0.000 0.998 454 E CA 1.182 57.691 56.400 0.182 0.000 0.818 454 E CB -0.119 29.802 29.700 0.369 0.000 0.741 454 E HN 0.252 nan 8.360 nan 0.000 0.477 455 L N -0.258 121.036 121.223 0.118 0.000 2.013 455 L HA -0.030 4.310 4.340 -0.000 0.000 0.204 455 L C 1.901 178.827 176.870 0.094 0.000 1.081 455 L CA 1.689 56.579 54.840 0.083 0.000 0.751 455 L CB -0.493 41.611 42.059 0.075 0.000 0.901 455 L HN 0.518 nan 8.230 nan 0.000 0.440 456 C N -3.274 116.112 119.300 0.143 0.000 2.525 456 C HA 0.400 4.860 4.460 -0.000 0.000 0.313 456 C C 1.203 176.314 174.990 0.201 0.000 1.311 456 C CA -0.816 58.297 59.018 0.160 0.000 1.725 456 C CB -1.954 25.901 27.740 0.190 0.000 1.926 456 C HN 0.592 nan 8.230 nan 0.000 0.595 457 C N 0.903 120.299 119.300 0.160 0.000 3.855 457 C HA 0.610 5.070 4.460 -0.000 0.000 0.293 457 C C 1.423 176.452 174.990 0.065 0.000 2.137 457 C CA 0.551 59.644 59.018 0.125 0.000 1.620 457 C CB -1.046 26.767 27.740 0.121 0.000 3.244 457 C HN 1.200 nan 8.230 nan 0.000 0.501 458 G N 1.420 110.258 108.800 0.064 0.000 2.681 458 G HA2 -0.083 3.877 3.960 -0.000 0.000 0.220 458 G HA3 -0.083 3.877 3.960 -0.000 0.000 0.220 458 G C -0.146 174.787 174.900 0.054 0.000 1.353 458 G CA 0.033 45.161 45.100 0.045 0.000 0.872 458 G HN 0.819 nan 8.290 nan 0.000 0.557 459 S N -1.161 114.568 115.700 0.048 0.000 2.537 459 S HA 0.310 4.780 4.470 -0.000 0.000 0.286 459 S C 1.646 176.283 174.600 0.062 0.000 1.299 459 S CA 0.269 58.511 58.200 0.071 0.000 1.067 459 S CB 1.088 64.323 63.200 0.058 0.000 0.864 459 S HN 1.454 nan 8.310 nan 0.000 0.494 460 V N 6.467 126.434 119.914 0.088 0.000 2.788 460 V HA -0.035 4.085 4.120 -0.000 0.000 0.251 460 V C 2.252 178.354 176.094 0.013 0.000 1.068 460 V CA 1.304 63.619 62.300 0.026 0.000 1.090 460 V CB -0.513 31.319 31.823 0.015 0.000 0.710 460 V HN 0.820 nan 8.190 nan 0.000 0.467 461 K N 0.221 120.653 120.400 0.053 0.000 2.209 461 K HA -0.182 4.138 4.320 -0.000 0.000 0.204 461 K C 2.033 178.658 176.600 0.042 0.000 1.048 461 K CA 1.366 57.680 56.287 0.046 0.000 0.940 461 K CB -0.125 32.416 32.500 0.067 0.000 0.729 461 K HN 0.570 nan 8.250 nan 0.000 0.451 462 E N 0.320 120.545 120.200 0.041 0.000 2.153 462 E HA -0.165 4.185 4.350 -0.000 0.000 0.194 462 E C 1.882 178.518 176.600 0.060 0.000 0.988 462 E CA 1.037 57.465 56.400 0.046 0.000 0.811 462 E CB -0.017 29.707 29.700 0.040 0.000 0.746 462 E HN 0.327 nan 8.360 nan 0.000 0.466 463 M N -0.265 119.341 119.600 0.010 0.000 2.334 463 M HA -0.029 4.450 4.480 -0.000 0.000 0.266 463 M C 1.787 178.080 176.300 -0.011 0.000 1.082 463 M CA 0.981 56.248 55.300 -0.054 0.000 1.141 463 M CB 0.280 32.738 32.600 -0.236 0.000 1.380 463 M HN -0.157 nan 8.290 nan 0.000 0.440 464 R N -0.274 120.224 120.500 -0.004 0.000 2.313 464 R HA 0.004 4.344 4.340 -0.000 0.000 0.199 464 R C 1.427 177.782 176.300 0.092 0.000 0.958 464 R CA 0.629 56.748 56.100 0.032 0.000 1.047 464 R CB 0.025 30.336 30.300 0.018 0.000 0.955 464 R HN 0.435 nan 8.270 nan 0.000 0.481 465 E N -0.049 120.209 120.200 0.095 0.000 2.110 465 E HA 0.042 4.392 4.350 -0.000 0.000 0.193 465 E C 1.715 178.371 176.600 0.094 0.000 0.950 465 E CA 0.188 56.639 56.400 0.084 0.000 0.840 465 E CB 0.193 29.929 29.700 0.060 0.000 0.809 465 E HN 0.156 nan 8.360 nan 0.000 0.465 466 R N 0.278 120.855 120.500 0.128 0.000 2.105 466 R HA -0.103 4.237 4.340 -0.000 0.000 0.239 466 R C 0.267 176.559 176.300 -0.013 0.000 1.135 466 R CA 1.019 57.157 56.100 0.063 0.000 0.967 466 R CB -0.122 30.246 30.300 0.113 0.000 0.861 466 R HN 0.158 nan 8.270 nan 0.000 0.442 467 Y N 0.361 120.649 120.300 -0.020 0.000 2.944 467 Y HA 0.178 4.728 4.550 -0.000 0.000 0.335 467 Y C 0.127 176.078 175.900 0.085 0.000 1.075 467 Y CA -0.947 57.151 58.100 -0.005 0.000 1.240 467 Y CB 0.928 39.328 38.460 -0.099 0.000 1.167 467 Y HN -0.196 nan 8.280 nan 0.000 0.555 468 T N 3.080 117.747 114.554 0.189 0.000 2.888 468 T HA 0.056 4.406 4.350 -0.000 0.000 0.301 468 T C 0.066 174.886 174.700 0.200 0.000 1.001 468 T CA -0.470 61.733 62.100 0.171 0.000 1.147 468 T CB 0.165 69.084 68.868 0.085 0.000 0.931 468 T HN 0.549 nan 8.240 nan 0.000 0.541 469 K N 5.279 125.781 120.400 0.169 0.000 2.339 469 K HA 0.244 4.564 4.320 -0.000 0.000 0.286 469 K C 1.346 177.875 176.600 -0.118 0.000 1.050 469 K CA -0.415 55.799 56.287 -0.121 0.000 0.956 469 K CB 0.348 32.797 32.500 -0.086 0.000 0.990 469 K HN 0.763 nan 8.250 nan 0.000 0.475 470 I N 1.124 121.576 120.570 -0.195 0.000 2.947 470 I HA 0.133 4.303 4.170 -0.000 0.000 0.263 470 I C -0.343 175.707 176.117 -0.112 0.000 1.130 470 I CA -0.199 61.043 61.300 -0.098 0.000 1.448 470 I CB 0.590 38.571 38.000 -0.030 0.000 1.222 470 I HN 0.128 nan 8.210 nan 0.000 0.453 471 V N 1.876 121.654 119.914 -0.227 0.000 2.932 471 V HA 0.508 4.628 4.120 -0.000 0.000 0.307 471 V C -1.169 174.789 176.094 -0.226 0.000 1.147 471 V CA -0.518 61.681 62.300 -0.168 0.000 0.951 471 V CB 1.804 33.567 31.823 -0.100 0.000 1.031 471 V HN 0.595 nan 8.190 nan 0.000 0.426 472 E N 3.515 123.654 120.200 -0.101 0.000 2.390 472 E HA 0.685 5.035 4.350 -0.000 0.000 0.277 472 E C -1.669 174.948 176.600 0.029 0.000 0.939 472 E CA -0.969 55.394 56.400 -0.061 0.000 0.769 472 E CB 2.665 32.328 29.700 -0.063 0.000 1.251 472 E HN 0.561 nan 8.360 nan 0.000 0.450 473 I N 2.943 123.556 120.570 0.071 0.000 2.313 473 I HA 0.273 4.443 4.170 -0.000 0.000 0.286 473 I C -2.087 174.050 176.117 0.034 0.000 1.091 473 I CA -2.287 59.054 61.300 0.068 0.000 1.216 473 I CB 0.546 38.610 38.000 0.106 0.000 1.434 473 I HN 0.323 nan 8.210 nan 0.000 0.487 474 P HA -0.175 nan 4.420 nan 0.000 0.266 474 P C -0.149 177.173 177.300 0.038 0.000 1.180 474 P CA 0.053 63.183 63.100 0.050 0.000 0.765 474 P CB 0.385 32.109 31.700 0.039 0.000 0.806 475 F N 2.986 122.901 119.950 -0.058 0.000 2.539 475 F HA -0.066 4.461 4.527 -0.000 0.000 0.393 475 F C 0.648 176.382 175.800 -0.110 0.000 1.032 475 F CA 0.511 58.458 58.000 -0.089 0.000 1.120 475 F CB -0.468 38.500 39.000 -0.053 0.000 1.014 475 F HN 0.180 nan 8.300 nan 0.000 0.546 476 N N 3.333 121.663 118.700 -0.617 0.000 2.518 476 N HA 0.082 4.822 4.740 -0.000 0.000 0.283 476 N C 0.955 176.125 175.510 -0.567 0.000 1.119 476 N CA 0.062 52.829 53.050 -0.471 0.000 0.983 476 N CB 1.769 40.002 38.487 -0.425 0.000 1.139 476 N HN 0.623 nan 8.380 nan 0.000 0.465 477 S N 0.693 116.239 115.700 -0.256 0.000 2.382 477 S HA -0.165 4.305 4.470 -0.000 0.000 0.228 477 S C 1.656 176.144 174.600 -0.187 0.000 1.027 477 S CA 2.275 60.382 58.200 -0.156 0.000 0.991 477 S CB -0.293 62.875 63.200 -0.053 0.000 0.823 477 S HN 0.793 nan 8.310 nan 0.000 0.469 478 T N -0.772 113.663 114.554 -0.198 0.000 2.852 478 T HA 0.088 4.438 4.350 -0.000 0.000 0.256 478 T C 1.633 176.200 174.700 -0.223 0.000 1.038 478 T CA 1.279 63.280 62.100 -0.165 0.000 1.141 478 T CB -0.966 67.828 68.868 -0.123 0.000 0.869 478 T HN 0.466 nan 8.240 nan 0.000 0.439 479 N N 1.289 119.767 118.700 -0.370 0.000 2.104 479 N HA -0.062 4.678 4.740 -0.000 0.000 0.190 479 N C 0.806 176.071 175.510 -0.409 0.000 1.024 479 N CA 1.230 53.972 53.050 -0.513 0.000 0.853 479 N CB -0.264 37.600 38.487 -1.038 0.000 1.008 479 N HN 0.321 nan 8.380 nan 0.000 0.424 480 K N -2.443 117.608 120.400 -0.583 0.000 3.446 480 K HA -0.204 4.115 4.320 -0.000 0.000 0.312 480 K C -1.403 175.044 176.600 -0.255 0.000 1.329 480 K CA 1.252 57.294 56.287 -0.407 0.000 0.935 480 K CB -1.726 30.752 32.500 -0.038 0.000 1.281 480 K HN 0.616 nan 8.250 nan 0.000 0.457 481 Y N -1.958 118.045 120.300 -0.495 0.000 2.625 481 Y HA 0.679 5.229 4.550 -0.000 0.000 0.338 481 Y C -0.944 174.935 175.900 -0.034 0.000 1.123 481 Y CA -1.203 56.847 58.100 -0.084 0.000 1.046 481 Y CB 1.418 39.854 38.460 -0.040 0.000 1.299 481 Y HN -0.012 nan 8.280 nan 0.000 0.464 482 Q N 2.992 123.043 119.800 0.417 0.000 2.304 482 Q HA 0.675 5.015 4.340 -0.000 0.000 0.270 482 Q C -2.082 174.074 176.000 0.260 0.000 1.035 482 Q CA -1.014 54.962 55.803 0.288 0.000 0.781 482 Q CB 2.154 31.068 28.738 0.293 0.000 1.261 482 Q HN 0.878 nan 8.270 nan 0.000 0.444 483 L N 0.326 121.691 121.223 0.237 0.000 2.283 483 L HA 0.914 5.254 4.340 -0.000 0.000 0.259 483 L C -0.880 176.033 176.870 0.072 0.000 1.027 483 L CA -0.484 54.453 54.840 0.161 0.000 0.828 483 L CB 2.310 44.495 42.059 0.209 0.000 1.380 483 L HN 0.493 nan 8.230 nan 0.000 0.425 484 S N 0.077 115.782 115.700 0.008 0.000 2.596 484 S HA 0.788 5.257 4.470 -0.000 0.000 0.270 484 S C -1.056 173.381 174.600 -0.272 0.000 1.155 484 S CA -0.491 57.632 58.200 -0.128 0.000 0.827 484 S CB 1.654 64.861 63.200 0.012 0.000 1.130 484 S HN 0.594 nan 8.310 nan 0.000 0.467 485 I N 2.693 122.939 120.570 -0.539 0.000 2.476 485 I HA 0.396 4.566 4.170 -0.000 0.000 0.281 485 I C -0.872 174.924 176.117 -0.535 0.000 1.040 485 I CA -0.468 60.490 61.300 -0.570 0.000 1.094 485 I CB 1.127 38.559 38.000 -0.946 0.000 1.219 485 I HN 0.497 nan 8.210 nan 0.000 0.450 486 H N 4.886 123.884 119.070 -0.120 0.000 2.569 486 H HA 0.408 4.964 4.556 -0.000 0.000 0.357 486 H C -0.597 174.732 175.328 0.002 0.000 1.153 486 H CA -0.973 55.063 56.048 -0.020 0.000 1.193 486 H CB 2.522 32.318 29.762 0.057 0.000 1.602 486 H HN 0.353 nan 8.280 nan 0.000 0.523 487 K N 2.558 123.034 120.400 0.126 0.000 2.315 487 K HA 0.024 4.343 4.320 -0.000 0.000 0.291 487 K C 0.195 176.765 176.600 -0.050 0.000 1.074 487 K CA -0.391 55.914 56.287 0.030 0.000 0.936 487 K CB 0.340 32.852 32.500 0.020 0.000 1.049 487 K HN 0.344 nan 8.250 nan 0.000 0.471 488 N N 4.209 122.850 118.700 -0.098 0.000 2.357 488 N HA -0.059 4.681 4.740 -0.000 0.000 0.257 488 N C -1.499 173.825 175.510 -0.311 0.000 1.250 488 N CA -1.184 51.740 53.050 -0.210 0.000 0.862 488 N CB 0.827 39.224 38.487 -0.150 0.000 1.066 488 N HN 0.379 nan 8.380 nan 0.000 0.468 489 P HA 0.003 nan 4.420 nan 0.000 0.230 489 P C -0.468 176.672 177.300 -0.267 0.000 1.168 489 P CA 0.261 63.099 63.100 -0.437 0.000 0.793 489 P CB 0.304 31.586 31.700 -0.695 0.000 0.851 490 N N 0.771 119.326 118.700 -0.242 0.000 2.365 490 N HA -0.046 4.694 4.740 -0.000 0.000 0.265 490 N C 1.234 176.670 175.510 -0.123 0.000 1.288 490 N CA 0.615 53.574 53.050 -0.152 0.000 0.869 490 N CB 0.039 38.448 38.487 -0.130 0.000 1.071 490 N HN -0.030 nan 8.380 nan 0.000 0.480 491 T N 0.759 115.256 114.554 -0.096 0.000 3.163 491 T HA 0.086 4.436 4.350 -0.000 0.000 0.260 491 T C 1.302 175.961 174.700 -0.069 0.000 1.156 491 T CA 1.052 63.105 62.100 -0.077 0.000 1.072 491 T CB 0.134 68.966 68.868 -0.060 0.000 0.937 491 T HN 0.586 nan 8.240 nan 0.000 0.528 492 A N 0.985 123.760 122.820 -0.075 0.000 1.944 492 A HA 0.327 4.647 4.320 -0.000 0.000 0.209 492 A C 1.179 178.718 177.584 -0.075 0.000 1.328 492 A CA 0.031 52.028 52.037 -0.067 0.000 0.693 492 A CB 0.281 19.243 19.000 -0.064 0.000 0.994 492 A HN 0.562 nan 8.150 nan 0.000 0.485 493 E N 0.843 120.987 120.200 -0.093 0.000 3.269 493 E HA 0.176 4.526 4.350 -0.000 0.000 0.221 493 E C -2.476 174.055 176.600 -0.115 0.000 1.113 493 E CA -1.615 54.725 56.400 -0.101 0.000 1.385 493 E CB 0.562 30.188 29.700 -0.123 0.000 1.345 493 E HN 0.371 nan 8.360 nan 0.000 0.435 494 P HA -0.012 nan 4.420 nan 0.000 0.225 494 P C -0.372 176.826 177.300 -0.171 0.000 1.768 494 P CA 0.096 63.110 63.100 -0.143 0.000 0.943 494 P CB -0.151 31.470 31.700 -0.131 0.000 1.936 495 R N 1.109 121.512 120.500 -0.161 0.000 2.598 495 R HA 0.228 4.568 4.340 -0.000 0.000 0.279 495 R C -0.175 176.010 176.300 -0.193 0.000 0.984 495 R CA -0.803 55.162 56.100 -0.225 0.000 0.999 495 R CB 0.606 30.844 30.300 -0.103 0.000 1.114 495 R HN 0.262 nan 8.270 nan 0.000 0.493 496 H N 1.796 120.861 119.070 -0.008 0.000 3.173 496 H HA -0.055 4.501 4.556 -0.000 0.000 0.311 496 H C -0.331 174.938 175.328 -0.100 0.000 0.972 496 H CA 0.293 56.307 56.048 -0.057 0.000 1.384 496 H CB 0.150 29.880 29.762 -0.055 0.000 1.349 496 H HN 0.180 nan 8.280 nan 0.000 0.582 497 L N 3.841 125.075 121.223 0.018 0.000 2.346 497 L HA 0.402 4.742 4.340 -0.000 0.000 0.276 497 L C -1.292 175.551 176.870 -0.045 0.000 1.006 497 L CA -0.901 53.937 54.840 -0.002 0.000 0.817 497 L CB 1.545 43.633 42.059 0.047 0.000 1.272 497 L HN 0.565 nan 8.230 nan 0.000 0.421 498 L N 6.228 127.409 121.223 -0.069 0.000 2.307 498 L HA 0.795 5.135 4.340 -0.000 0.000 0.284 498 L C -1.050 175.833 176.870 0.022 0.000 1.023 498 L CA -0.451 54.342 54.840 -0.078 0.000 0.810 498 L CB 1.760 43.754 42.059 -0.109 0.000 1.231 498 L HN 0.452 nan 8.230 nan 0.000 0.423 499 V N 3.802 123.747 119.914 0.051 0.000 2.623 499 V HA 0.789 4.909 4.120 -0.000 0.000 0.304 499 V C -0.589 175.532 176.094 0.046 0.000 1.054 499 V CA -0.676 61.672 62.300 0.081 0.000 0.882 499 V CB 1.477 33.369 31.823 0.114 0.000 1.002 499 V HN 1.013 nan 8.190 nan 0.000 0.424 500 M N 3.949 123.547 119.600 -0.003 0.000 2.550 500 M HA 0.879 5.359 4.480 -0.000 0.000 0.292 500 M C -1.357 174.851 176.300 -0.153 0.000 1.221 500 M CA -0.624 54.660 55.300 -0.026 0.000 0.873 500 M CB 2.813 35.385 32.600 -0.047 0.000 1.727 500 M HN 0.877 nan 8.290 nan 0.000 0.459 501 K N 1.592 121.895 120.400 -0.161 0.000 2.498 501 K HA 0.988 5.308 4.320 -0.000 0.000 0.254 501 K C -1.026 175.522 176.600 -0.086 0.000 0.933 501 K CA -0.556 55.486 56.287 -0.409 0.000 0.806 501 K CB 2.414 34.378 32.500 -0.893 0.000 1.301 501 K HN 1.101 nan 8.250 nan 0.000 0.432 502 G N 0.580 109.339 108.800 -0.068 0.000 2.341 502 G HA2 0.496 4.456 3.960 -0.000 0.000 0.299 502 G HA3 0.496 4.456 3.960 -0.000 0.000 0.299 502 G C -1.346 173.623 174.900 0.116 0.000 1.274 502 G CA -0.606 44.594 45.100 0.168 0.000 0.853 502 G HN 0.799 nan 8.290 nan 0.000 0.493 503 A N 0.340 123.263 122.820 0.171 0.000 2.587 503 A HA 0.457 4.777 4.320 -0.000 0.000 0.235 503 A C -0.824 176.792 177.584 0.052 0.000 1.044 503 A CA 0.651 52.750 52.037 0.102 0.000 0.754 503 A CB -0.083 18.982 19.000 0.108 0.000 0.968 503 A HN 0.338 nan 8.150 nan 0.000 0.509 504 P HA -0.141 nan 4.420 nan 0.000 0.219 504 P C 1.054 178.396 177.300 0.071 0.000 1.146 504 P CA 1.255 64.342 63.100 -0.022 0.000 0.808 504 P CB 0.252 31.570 31.700 -0.637 0.000 0.779 505 E N -0.885 119.283 120.200 -0.052 0.000 2.086 505 E HA -0.033 4.317 4.350 -0.000 0.000 0.190 505 E C 2.068 178.680 176.600 0.020 0.000 0.975 505 E CA 0.718 57.126 56.400 0.012 0.000 0.813 505 E CB -0.363 29.341 29.700 0.007 0.000 0.768 505 E HN 0.173 nan 8.360 nan 0.000 0.457 506 R N 0.676 121.199 120.500 0.037 0.000 2.115 506 R HA -0.023 4.317 4.340 -0.000 0.000 0.230 506 R C 2.206 178.511 176.300 0.008 0.000 1.111 506 R CA 0.522 56.647 56.100 0.042 0.000 0.976 506 R CB -0.448 29.911 30.300 0.098 0.000 0.870 506 R HN 0.191 nan 8.270 nan 0.000 0.445 507 I N 0.668 121.264 120.570 0.042 0.000 2.286 507 I HA -0.180 3.990 4.170 -0.000 0.000 0.245 507 I C 2.261 178.416 176.117 0.063 0.000 1.104 507 I CA 0.740 62.074 61.300 0.057 0.000 1.397 507 I CB -1.000 37.095 38.000 0.158 0.000 1.072 507 I HN 0.091 nan 8.210 nan 0.000 0.417 508 L N 0.622 121.834 121.223 -0.018 0.000 2.291 508 L HA -0.181 4.159 4.340 -0.000 0.000 0.214 508 L C 1.710 178.476 176.870 -0.174 0.000 1.120 508 L CA 1.684 56.366 54.840 -0.263 0.000 0.799 508 L CB -0.845 40.800 42.059 -0.690 0.000 0.925 508 L HN 0.218 nan 8.230 nan 0.000 0.446 509 D N 0.113 120.455 120.400 -0.096 0.000 2.312 509 D HA -0.108 4.532 4.640 -0.000 0.000 0.211 509 D C 1.093 177.353 176.300 -0.068 0.000 0.964 509 D CA 0.701 54.658 54.000 -0.071 0.000 0.877 509 D CB 0.231 41.008 40.800 -0.038 0.000 0.924 509 D HN 0.223 nan 8.370 nan 0.000 0.515 510 R N -0.668 119.788 120.500 -0.074 0.000 2.816 510 R HA 0.360 4.700 4.340 -0.000 0.000 0.382 510 R C -0.997 175.269 176.300 -0.058 0.000 1.140 510 R CA -0.299 55.753 56.100 -0.079 0.000 1.050 510 R CB 0.465 30.685 30.300 -0.133 0.000 1.396 510 R HN 0.044 nan 8.270 nan 0.000 0.583 511 C N -0.264 119.004 119.300 -0.053 0.000 2.547 511 C HA 0.336 4.796 4.460 -0.000 0.000 0.313 511 C C 1.415 176.377 174.990 -0.045 0.000 1.191 511 C CA -0.475 58.525 59.018 -0.030 0.000 1.474 511 C CB 2.081 29.826 27.740 0.007 0.000 2.081 511 C HN 0.645 nan 8.230 nan 0.000 0.476 512 S N 0.851 116.535 115.700 -0.027 0.000 2.613 512 S HA 0.198 4.668 4.470 -0.000 0.000 0.235 512 S C 0.473 175.068 174.600 -0.008 0.000 1.073 512 S CA 0.265 58.451 58.200 -0.023 0.000 0.899 512 S CB -0.053 63.135 63.200 -0.019 0.000 0.818 512 S HN 0.878 nan 8.310 nan 0.000 0.484 513 S N 0.611 116.315 115.700 0.007 0.000 2.751 513 S HA 0.826 5.296 4.470 -0.000 0.000 0.310 513 S C -0.944 173.698 174.600 0.069 0.000 1.128 513 S CA -0.965 57.254 58.200 0.033 0.000 0.931 513 S CB 1.194 64.417 63.200 0.038 0.000 1.177 513 S HN 0.344 nan 8.310 nan 0.000 0.530 514 I N 1.056 121.679 120.570 0.088 0.000 2.586 514 I HA 0.231 4.401 4.170 -0.000 0.000 0.281 514 I C -1.011 175.166 176.117 0.100 0.000 1.145 514 I CA -0.472 60.907 61.300 0.133 0.000 1.073 514 I CB 1.614 39.690 38.000 0.126 0.000 1.238 514 I HN 0.597 nan 8.210 nan 0.000 0.461 515 L N 7.556 128.826 121.223 0.079 0.000 2.742 515 L HA 0.158 4.498 4.340 -0.000 0.000 0.275 515 L C -0.099 176.786 176.870 0.024 0.000 1.141 515 L CA 0.332 55.212 54.840 0.068 0.000 0.987 515 L CB -0.035 42.049 42.059 0.042 0.000 1.319 515 L HN 0.553 nan 8.230 nan 0.000 0.478 516 I N 1.152 121.747 120.570 0.041 0.000 2.382 516 I HA 0.386 4.556 4.170 -0.000 0.000 0.285 516 I C 0.166 176.331 176.117 0.079 0.000 1.007 516 I CA -0.497 60.796 61.300 -0.011 0.000 1.142 516 I CB 1.154 39.180 38.000 0.043 0.000 1.289 516 I HN 0.700 nan 8.210 nan 0.000 0.453 517 H N 4.100 123.181 119.070 0.019 0.000 3.080 517 H HA -0.143 4.413 4.556 -0.000 0.000 0.254 517 H C 1.185 176.530 175.328 0.028 0.000 1.179 517 H CA 1.474 57.535 56.048 0.022 0.000 1.144 517 H CB -1.438 28.334 29.762 0.017 0.000 1.261 517 H HN 1.318 nan 8.280 nan 0.000 0.333 518 G N -0.853 108.011 108.800 0.107 0.000 2.792 518 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.201 518 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.201 518 G C 0.087 175.046 174.900 0.097 0.000 1.322 518 G CA -0.117 45.037 45.100 0.089 0.000 0.910 518 G HN 0.353 nan 8.290 nan 0.000 0.535 519 K N 1.944 122.405 120.400 0.101 0.000 2.218 519 K HA 0.496 4.816 4.320 -0.000 0.000 0.276 519 K C 0.359 177.032 176.600 0.122 0.000 1.022 519 K CA -0.346 56.001 56.287 0.100 0.000 0.946 519 K CB 1.438 33.985 32.500 0.078 0.000 1.000 519 K HN 0.497 nan 8.250 nan 0.000 0.468 520 E N 1.633 121.921 120.200 0.148 0.000 2.435 520 E HA 0.024 4.374 4.350 -0.000 0.000 0.254 520 E C -0.250 176.414 176.600 0.105 0.000 1.289 520 E CA 0.212 56.700 56.400 0.147 0.000 0.983 520 E CB 0.573 30.385 29.700 0.187 0.000 1.010 520 E HN 0.371 nan 8.360 nan 0.000 0.509 521 Q N -0.537 119.317 119.800 0.090 0.000 2.736 521 Q HA 0.206 4.546 4.340 -0.000 0.000 0.273 521 Q C -2.734 173.299 176.000 0.055 0.000 0.948 521 Q CA -1.569 54.276 55.803 0.070 0.000 0.854 521 Q CB 2.076 30.858 28.738 0.072 0.000 1.569 521 Q HN 0.256 nan 8.270 nan 0.000 0.405 522 P HA 0.025 nan 4.420 nan 0.000 0.267 522 P C -0.512 176.799 177.300 0.019 0.000 1.200 522 P CA 0.105 63.221 63.100 0.027 0.000 0.772 522 P CB 0.420 32.134 31.700 0.024 0.000 0.855 523 L N 3.462 124.683 121.223 -0.003 0.000 2.437 523 L HA 0.064 4.404 4.340 -0.000 0.000 0.243 523 L C 0.163 177.017 176.870 -0.026 0.000 1.346 523 L CA -0.239 54.582 54.840 -0.031 0.000 1.233 523 L CB -0.809 41.207 42.059 -0.072 0.000 1.436 523 L HN 0.331 nan 8.230 nan 0.000 0.416 524 D N 1.284 121.685 120.400 0.000 0.000 2.429 524 D HA -0.171 4.469 4.640 -0.000 0.000 0.233 524 D C 0.834 177.134 176.300 -0.001 0.000 1.202 524 D CA 0.363 54.367 54.000 0.007 0.000 0.879 524 D CB 0.855 41.670 40.800 0.026 0.000 1.212 524 D HN 0.444 nan 8.370 nan 0.000 0.465 525 E N 0.197 120.398 120.200 0.002 0.000 2.511 525 E HA -0.099 4.251 4.350 -0.000 0.000 0.196 525 E C 0.798 177.410 176.600 0.020 0.000 1.066 525 E CA 0.294 56.695 56.400 0.002 0.000 0.871 525 E CB 0.286 29.986 29.700 0.000 0.000 0.863 525 E HN 0.389 nan 8.360 nan 0.000 0.520 526 E N -0.097 120.123 120.200 0.032 0.000 2.060 526 E HA -0.077 4.273 4.350 -0.000 0.000 0.189 526 E C 1.901 178.549 176.600 0.080 0.000 0.974 526 E CA 0.633 57.064 56.400 0.051 0.000 0.808 526 E CB 0.164 29.896 29.700 0.054 0.000 0.768 526 E HN 0.292 nan 8.360 nan 0.000 0.453 527 L N 0.778 122.054 121.223 0.088 0.000 2.418 527 L HA 0.035 4.375 4.340 -0.000 0.000 0.218 527 L C 2.185 179.120 176.870 0.108 0.000 1.125 527 L CA 0.467 55.398 54.840 0.152 0.000 0.835 527 L CB -0.065 42.083 42.059 0.149 0.000 0.953 527 L HN -0.043 nan 8.230 nan 0.000 0.454 528 K N -0.084 120.326 120.400 0.018 0.000 2.591 528 K HA -0.112 4.208 4.320 -0.000 0.000 0.197 528 K C 0.626 177.261 176.600 0.059 0.000 1.026 528 K CA 0.428 56.690 56.287 -0.041 0.000 1.127 528 K CB 0.181 32.636 32.500 -0.076 0.000 0.871 528 K HN 0.147 nan 8.250 nan 0.000 0.507 529 D N -1.482 118.969 120.400 0.086 0.000 2.409 529 D HA 0.165 4.804 4.640 -0.000 0.000 0.301 529 D C 1.167 177.492 176.300 0.041 0.000 1.095 529 D CA 0.385 54.424 54.000 0.066 0.000 0.929 529 D CB 0.258 41.085 40.800 0.044 0.000 1.623 529 D HN 0.100 nan 8.370 nan 0.000 0.506 530 A N -0.053 122.822 122.820 0.092 0.000 2.209 530 A HA 0.019 4.339 4.320 -0.000 0.000 0.212 530 A C 1.689 179.175 177.584 -0.164 0.000 1.158 530 A CA 0.609 52.707 52.037 0.103 0.000 0.742 530 A CB -0.821 18.360 19.000 0.302 0.000 0.790 530 A HN 0.365 nan 8.150 nan 0.000 0.472 531 F N -0.758 118.904 119.950 -0.480 0.000 2.446 531 F HA 0.125 4.652 4.527 -0.000 0.000 0.292 531 F C 1.822 177.295 175.800 -0.544 0.000 1.096 531 F CA 0.968 58.340 58.000 -1.047 0.000 1.438 531 F CB 0.054 38.625 39.000 -0.716 0.000 1.107 531 F HN 0.115 nan 8.300 nan 0.000 0.546 532 Q N 0.905 120.554 119.800 -0.251 0.000 2.435 532 Q HA -0.031 4.309 4.340 -0.000 0.000 0.207 532 Q C 1.258 177.105 176.000 -0.255 0.000 0.956 532 Q CA 0.543 56.202 55.803 -0.240 0.000 0.917 532 Q CB -0.334 28.422 28.738 0.031 0.000 0.997 532 Q HN 0.480 nan 8.270 nan 0.000 0.497 533 N N 0.389 118.925 118.700 -0.273 0.000 2.220 533 N HA -0.034 4.706 4.740 -0.000 0.000 0.182 533 N C 1.581 176.905 175.510 -0.309 0.000 1.023 533 N CA 1.335 54.249 53.050 -0.227 0.000 0.856 533 N CB -0.313 38.090 38.487 -0.139 0.000 0.997 533 N HN 0.170 nan 8.380 nan 0.000 0.429 534 A N 0.414 122.943 122.820 -0.486 0.000 1.877 534 A HA -0.174 4.146 4.320 -0.000 0.000 0.216 534 A C 2.108 179.464 177.584 -0.380 0.000 1.186 534 A CA 1.159 52.907 52.037 -0.481 0.000 0.620 534 A CB -1.100 17.361 19.000 -0.898 0.000 0.822 534 A HN 0.419 nan 8.150 nan 0.000 0.443 535 Y N 0.292 120.210 120.300 -0.637 0.000 2.403 535 Y HA -0.040 4.510 4.550 -0.000 0.000 0.291 535 Y C 1.607 177.320 175.900 -0.312 0.000 1.143 535 Y CA 1.306 59.104 58.100 -0.505 0.000 1.257 535 Y CB -0.135 37.857 38.460 -0.781 0.000 0.984 535 Y HN 0.208 nan 8.280 nan 0.000 0.550 536 L N -0.379 120.538 121.223 -0.509 0.000 2.513 536 L HA 0.027 4.367 4.340 -0.000 0.000 0.222 536 L C 2.301 178.979 176.870 -0.319 0.000 1.096 536 L CA 0.746 55.301 54.840 -0.475 0.000 0.857 536 L CB -0.216 41.653 42.059 -0.317 0.000 1.026 536 L HN 0.231 nan 8.230 nan 0.000 0.469 537 E N 1.018 121.058 120.200 -0.267 0.000 2.033 537 E HA -0.136 4.214 4.350 -0.000 0.000 0.189 537 E C 2.301 178.789 176.600 -0.187 0.000 0.979 537 E CA 0.677 56.957 56.400 -0.200 0.000 0.802 537 E CB 0.141 29.735 29.700 -0.176 0.000 0.763 537 E HN 0.401 nan 8.360 nan 0.000 0.449 538 L N 0.445 121.558 121.223 -0.184 0.000 2.131 538 L HA -0.061 4.278 4.340 -0.000 0.000 0.210 538 L C 2.613 179.417 176.870 -0.110 0.000 1.092 538 L CA 1.113 55.880 54.840 -0.122 0.000 0.759 538 L CB -0.552 41.481 42.059 -0.044 0.000 0.903 538 L HN 0.306 nan 8.230 nan 0.000 0.435 539 G N -0.225 108.455 108.800 -0.200 0.000 2.408 539 G HA2 -0.165 3.795 3.960 -0.000 0.000 0.217 539 G HA3 -0.165 3.795 3.960 -0.000 0.000 0.217 539 G C 1.585 176.390 174.900 -0.158 0.000 1.150 539 G CA 0.642 45.614 45.100 -0.212 0.000 0.776 539 G HN 0.475 nan 8.290 nan 0.000 0.542 540 G N 0.395 109.094 108.800 -0.168 0.000 2.470 540 G HA2 -0.016 3.944 3.960 -0.000 0.000 0.220 540 G HA3 -0.016 3.944 3.960 -0.000 0.000 0.220 540 G C 1.155 176.005 174.900 -0.083 0.000 1.121 540 G CA 0.184 45.211 45.100 -0.122 0.000 0.766 540 G HN 0.333 nan 8.290 nan 0.000 0.553 541 L N 1.350 122.528 121.223 -0.075 0.000 2.715 541 L HA 0.346 4.686 4.340 -0.000 0.000 0.238 541 L C 1.771 178.629 176.870 -0.019 0.000 1.212 541 L CA 0.056 54.872 54.840 -0.040 0.000 1.017 541 L CB -0.391 41.651 42.059 -0.028 0.000 1.269 541 L HN 0.251 nan 8.230 nan 0.000 0.452 542 G N -0.025 108.757 108.800 -0.030 0.000 2.356 542 G HA2 -0.297 3.663 3.960 -0.000 0.000 0.296 542 G HA3 -0.297 3.663 3.960 -0.000 0.000 0.296 542 G C 0.223 175.123 174.900 0.000 0.000 1.022 542 G CA 0.293 45.384 45.100 -0.015 0.000 0.961 542 G HN 0.490 nan 8.290 nan 0.000 0.510 543 E N -0.554 119.647 120.200 0.002 0.000 2.212 543 E HA 0.464 4.814 4.350 -0.000 0.000 0.268 543 E C 0.440 177.061 176.600 0.036 0.000 0.902 543 E CA -1.054 55.363 56.400 0.028 0.000 0.779 543 E CB 1.624 31.361 29.700 0.060 0.000 1.172 543 E HN 0.232 nan 8.360 nan 0.000 0.409 544 R N 1.265 121.794 120.500 0.048 0.000 2.438 544 R HA 0.261 4.601 4.340 -0.000 0.000 0.287 544 R C -0.609 175.755 176.300 0.107 0.000 1.077 544 R CA -0.177 55.964 56.100 0.068 0.000 1.034 544 R CB 0.776 31.106 30.300 0.050 0.000 0.993 544 R HN 0.257 nan 8.270 nan 0.000 0.459 545 V N 5.261 125.268 119.914 0.155 0.000 2.555 545 V HA 0.470 4.590 4.120 -0.000 0.000 0.302 545 V C -0.006 176.213 176.094 0.208 0.000 1.038 545 V CA -0.812 61.617 62.300 0.215 0.000 0.887 545 V CB 1.922 33.944 31.823 0.332 0.000 0.991 545 V HN 0.562 nan 8.190 nan 0.000 0.434 546 L N 3.147 124.523 121.223 0.254 0.000 2.386 546 L HA 0.776 5.116 4.340 -0.000 0.000 0.271 546 L C 0.477 177.566 176.870 0.364 0.000 0.993 546 L CA -0.477 54.516 54.840 0.255 0.000 0.819 546 L CB 2.232 44.473 42.059 0.303 0.000 1.294 546 L HN 0.816 nan 8.230 nan 0.000 0.414 547 G N 1.649 110.571 108.800 0.203 0.000 2.371 547 G HA2 0.664 4.624 3.960 -0.000 0.000 0.326 547 G HA3 0.664 4.624 3.960 -0.000 0.000 0.326 547 G C -1.364 173.511 174.900 -0.042 0.000 1.127 547 G CA -0.166 45.090 45.100 0.261 0.000 0.885 547 G HN 0.247 nan 8.290 nan 0.000 0.477 548 F N 0.416 120.190 119.950 -0.293 0.000 2.551 548 F HA 0.655 5.182 4.527 -0.000 0.000 0.316 548 F C 0.534 176.003 175.800 -0.551 0.000 1.089 548 F CA -0.922 56.888 58.000 -0.317 0.000 0.915 548 F CB 2.236 41.104 39.000 -0.220 0.000 1.186 548 F HN 0.758 nan 8.300 nan 0.000 0.456 549 C N 0.988 120.170 119.300 -0.198 0.000 3.239 549 C HA 0.811 5.271 4.460 -0.000 0.000 0.329 549 C C -1.072 173.870 174.990 -0.080 0.000 1.252 549 C CA -0.792 58.094 59.018 -0.221 0.000 1.323 549 C CB 1.488 29.137 27.740 -0.150 0.000 1.663 549 C HN 1.094 nan 8.230 nan 0.000 0.487 550 H N 0.537 119.566 119.070 -0.068 0.000 2.941 550 H HA 0.888 5.444 4.556 -0.000 0.000 0.344 550 H C -2.029 173.210 175.328 -0.150 0.000 1.235 550 H CA -1.333 54.675 56.048 -0.066 0.000 1.149 550 H CB 1.765 31.521 29.762 -0.009 0.000 1.885 550 H HN 0.823 nan 8.280 nan 0.000 0.558 551 L N 2.261 123.498 121.223 0.024 0.000 2.464 551 L HA 0.299 4.639 4.340 -0.000 0.000 0.266 551 L C -1.415 175.290 176.870 -0.277 0.000 0.965 551 L CA -1.072 53.615 54.840 -0.255 0.000 0.833 551 L CB 2.097 44.050 42.059 -0.176 0.000 1.296 551 L HN 0.633 nan 8.230 nan 0.000 0.405 552 F N 3.790 123.687 119.950 -0.088 0.000 2.368 552 F HA 0.430 4.957 4.527 -0.000 0.000 0.362 552 F C 0.328 176.077 175.800 -0.085 0.000 1.137 552 F CA -0.885 57.049 58.000 -0.111 0.000 1.161 552 F CB -0.150 38.787 39.000 -0.106 0.000 1.265 552 F HN 0.135 nan 8.300 nan 0.000 0.530 553 L N 4.480 125.673 121.223 -0.050 0.000 2.503 553 L HA 0.080 4.420 4.340 -0.000 0.000 0.287 553 L C -1.802 175.063 176.870 -0.008 0.000 1.252 553 L CA -1.662 53.068 54.840 -0.184 0.000 0.835 553 L CB 0.260 41.970 42.059 -0.582 0.000 1.099 553 L HN 0.370 nan 8.230 nan 0.000 0.516 554 P HA 0.071 nan 4.420 nan 0.000 0.284 554 P C -0.650 176.825 177.300 0.292 0.000 1.343 554 P CA -0.492 62.723 63.100 0.192 0.000 0.826 554 P CB 0.589 32.420 31.700 0.218 0.000 0.956 555 D N 1.856 122.379 120.400 0.204 0.000 2.403 555 D HA -0.183 4.457 4.640 -0.000 0.000 0.227 555 D C 0.803 177.210 176.300 0.178 0.000 0.995 555 D CA 1.028 55.162 54.000 0.222 0.000 0.928 555 D CB -0.265 40.605 40.800 0.116 0.000 0.887 555 D HN 0.421 nan 8.370 nan 0.000 0.529 556 E N 0.033 120.317 120.200 0.141 0.000 2.140 556 E HA -0.028 4.322 4.350 -0.000 0.000 0.191 556 E C 1.604 178.195 176.600 -0.016 0.000 0.973 556 E CA 0.470 56.907 56.400 0.063 0.000 0.829 556 E CB -0.111 29.618 29.700 0.049 0.000 0.781 556 E HN 0.356 nan 8.360 nan 0.000 0.466 557 Q N -0.176 119.596 119.800 -0.046 0.000 2.403 557 Q HA 0.122 4.462 4.340 -0.000 0.000 0.203 557 Q C -0.769 174.522 176.000 -1.182 0.000 0.932 557 Q CA 0.247 55.775 55.803 -0.459 0.000 0.945 557 Q CB 0.372 28.850 28.738 -0.433 0.000 1.045 557 Q HN 0.120 nan 8.270 nan 0.000 0.511 558 F N 0.935 120.634 119.950 -0.419 0.000 2.941 558 F HA 0.348 4.875 4.527 -0.000 0.000 0.359 558 F C -2.383 173.432 175.800 0.025 0.000 1.231 558 F CA -2.742 54.888 58.000 -0.616 0.000 1.089 558 F CB 1.301 39.941 39.000 -0.600 0.000 1.407 558 F HN -0.150 nan 8.300 nan 0.000 0.538 559 P HA 0.098 nan 4.420 nan 0.000 0.293 559 P C 0.589 178.122 177.300 0.389 0.000 1.298 559 P CA -0.042 63.223 63.100 0.274 0.000 0.757 559 P CB 1.262 33.089 31.700 0.211 0.000 1.262 560 E N -0.328 120.015 120.200 0.238 0.000 2.204 560 E HA -0.054 4.296 4.350 -0.000 0.000 0.194 560 E C 1.470 178.226 176.600 0.260 0.000 0.989 560 E CA 1.616 58.137 56.400 0.202 0.000 0.824 560 E CB -1.077 28.684 29.700 0.101 0.000 0.756 560 E HN 0.630 nan 8.360 nan 0.000 0.477 561 G N -0.671 108.268 108.800 0.232 0.000 4.144 561 G HA2 0.106 4.066 3.960 -0.000 0.000 0.297 561 G HA3 0.106 4.066 3.960 -0.000 0.000 0.297 561 G C -0.636 174.365 174.900 0.167 0.000 1.090 561 G CA -0.633 44.577 45.100 0.184 0.000 0.870 561 G HN 0.142 nan 8.290 nan 0.000 0.532 562 F N 1.689 121.674 119.950 0.059 0.000 2.538 562 F HA 0.291 4.817 4.527 -0.000 0.000 0.371 562 F C 0.699 176.399 175.800 -0.167 0.000 1.087 562 F CA -0.003 57.912 58.000 -0.141 0.000 1.250 562 F CB 0.822 39.632 39.000 -0.317 0.000 1.110 562 F HN 0.121 nan 8.300 nan 0.000 0.570 563 Q N 5.551 124.929 119.800 -0.703 0.000 2.278 563 Q HA 0.324 4.663 4.340 -0.000 0.000 0.257 563 Q C -1.297 174.377 176.000 -0.544 0.000 0.928 563 Q CA -0.524 55.037 55.803 -0.404 0.000 0.932 563 Q CB 1.409 29.969 28.738 -0.296 0.000 1.221 563 Q HN 0.506 nan 8.270 nan 0.000 0.434 564 F N 0.754 120.691 119.950 -0.021 0.000 2.425 564 F HA 0.202 4.729 4.527 -0.000 0.000 0.331 564 F C 0.390 176.296 175.800 0.177 0.000 1.085 564 F CA -0.793 57.313 58.000 0.177 0.000 1.028 564 F CB 1.155 40.210 39.000 0.092 0.000 1.177 564 F HN 0.372 nan 8.300 nan 0.000 0.487 565 D N 1.034 121.715 120.400 0.469 0.000 2.443 565 D HA 0.091 4.731 4.640 -0.000 0.000 0.221 565 D C 0.987 177.502 176.300 0.357 0.000 1.097 565 D CA 0.079 54.246 54.000 0.279 0.000 0.865 565 D CB 1.378 42.257 40.800 0.131 0.000 1.034 565 D HN 0.596 nan 8.370 nan 0.000 0.511 566 T N 1.643 116.367 114.554 0.284 0.000 2.962 566 T HA -0.105 4.245 4.350 -0.000 0.000 0.270 566 T C 0.873 175.658 174.700 0.142 0.000 1.088 566 T CA 1.227 63.481 62.100 0.257 0.000 1.127 566 T CB 0.136 69.098 68.868 0.158 0.000 0.883 566 T HN 0.335 nan 8.240 nan 0.000 0.493 567 D N 0.428 120.883 120.400 0.091 0.000 2.277 567 D HA 0.100 4.740 4.640 -0.000 0.000 0.209 567 D C 0.109 176.415 176.300 0.010 0.000 0.970 567 D CA 0.449 54.472 54.000 0.038 0.000 0.874 567 D CB 0.180 40.995 40.800 0.025 0.000 0.982 567 D HN 0.419 nan 8.370 nan 0.000 0.504 568 D N -0.149 120.258 120.400 0.010 0.000 2.340 568 D HA 0.223 4.863 4.640 -0.000 0.000 0.243 568 D C -0.273 175.966 176.300 -0.101 0.000 0.988 568 D CA -0.717 53.264 54.000 -0.031 0.000 0.959 568 D CB 2.596 43.385 40.800 -0.018 0.000 1.226 568 D HN -0.327 nan 8.370 nan 0.000 0.509 569 V N 2.713 122.545 119.914 -0.137 0.000 2.341 569 V HA 0.044 4.164 4.120 -0.000 0.000 0.248 569 V C 1.069 177.050 176.094 -0.188 0.000 1.107 569 V CA 0.102 62.250 62.300 -0.253 0.000 1.069 569 V CB -0.077 31.648 31.823 -0.164 0.000 1.177 569 V HN 0.411 nan 8.190 nan 0.000 0.492 570 N N 3.613 122.174 118.700 -0.231 0.000 2.282 570 N HA 0.188 4.928 4.740 -0.000 0.000 0.185 570 N C 0.028 175.790 175.510 0.420 0.000 1.099 570 N CA 0.132 53.273 53.050 0.153 0.000 0.878 570 N CB 0.375 39.086 38.487 0.372 0.000 0.993 570 N HN 0.622 nan 8.380 nan 0.000 0.481 571 F N -1.208 118.972 119.950 0.383 0.000 2.764 571 F HA 0.745 5.272 4.527 -0.000 0.000 0.347 571 F C -2.460 173.501 175.800 0.268 0.000 1.151 571 F CA -2.476 55.818 58.000 0.490 0.000 1.021 571 F CB -0.052 39.293 39.000 0.574 0.000 1.438 571 F HN -0.249 nan 8.300 nan 0.000 0.516 572 P HA 0.362 nan 4.420 nan 0.000 0.293 572 P C -0.373 177.010 177.300 0.138 0.000 1.300 572 P CA -0.240 62.970 63.100 0.183 0.000 0.792 572 P CB 2.111 33.898 31.700 0.144 0.000 0.925 573 L N 0.569 121.819 121.223 0.044 0.000 2.575 573 L HA 0.233 4.573 4.340 -0.000 0.000 0.228 573 L C 0.411 177.248 176.870 -0.055 0.000 1.075 573 L CA 0.270 55.108 54.840 -0.003 0.000 0.867 573 L CB 0.045 42.090 42.059 -0.024 0.000 1.097 573 L HN 0.259 nan 8.230 nan 0.000 0.485 574 D N 0.223 120.604 120.400 -0.031 0.000 2.277 574 D HA 0.220 4.860 4.640 -0.000 0.000 0.250 574 D C -0.189 176.091 176.300 -0.033 0.000 1.032 574 D CA -0.288 53.687 54.000 -0.041 0.000 0.947 574 D CB 0.851 41.633 40.800 -0.029 0.000 1.159 574 D HN -0.141 nan 8.370 nan 0.000 0.460 575 N N 0.394 119.071 118.700 -0.039 0.000 2.648 575 N HA -0.166 4.574 4.740 -0.000 0.000 0.265 575 N C -0.993 174.489 175.510 -0.048 0.000 1.100 575 N CA 0.512 53.541 53.050 -0.036 0.000 0.715 575 N CB -1.270 37.203 38.487 -0.023 0.000 0.881 575 N HN 0.353 nan 8.380 nan 0.000 0.548 576 L N -1.148 120.045 121.223 -0.050 0.000 2.335 576 L HA 0.581 4.921 4.340 -0.000 0.000 0.268 576 L C 0.966 177.810 176.870 -0.042 0.000 1.016 576 L CA -1.110 53.692 54.840 -0.064 0.000 0.805 576 L CB 1.534 43.557 42.059 -0.060 0.000 1.311 576 L HN 0.343 nan 8.230 nan 0.000 0.456 577 C N 1.335 120.600 119.300 -0.059 0.000 2.256 577 C HA 0.374 4.834 4.460 -0.000 0.000 0.333 577 C C 0.189 175.165 174.990 -0.024 0.000 1.183 577 C CA -0.878 58.124 59.018 -0.027 0.000 1.692 577 C CB -1.499 26.217 27.740 -0.040 0.000 2.274 577 C HN 0.526 nan 8.230 nan 0.000 0.509 578 F N 5.768 125.668 119.950 -0.083 0.000 2.543 578 F HA 0.299 4.826 4.527 -0.000 0.000 0.375 578 F C 0.845 176.607 175.800 -0.063 0.000 1.075 578 F CA 0.313 58.281 58.000 -0.053 0.000 1.225 578 F CB 1.009 39.993 39.000 -0.025 0.000 1.099 578 F HN 0.537 nan 8.300 nan 0.000 0.561 579 V N 4.430 124.086 119.914 -0.430 0.000 2.788 579 V HA 0.464 4.584 4.120 -0.000 0.000 0.241 579 V C 1.029 177.011 176.094 -0.187 0.000 1.083 579 V CA 0.751 62.881 62.300 -0.282 0.000 1.103 579 V CB -0.234 31.382 31.823 -0.346 0.000 0.800 579 V HN 1.040 nan 8.190 nan 0.000 0.476 580 G N -0.842 107.730 108.800 -0.381 0.000 2.316 580 G HA2 0.399 4.359 3.960 -0.000 0.000 0.296 580 G HA3 0.399 4.359 3.960 -0.000 0.000 0.296 580 G C -1.778 173.233 174.900 0.185 0.000 1.399 580 G CA -0.824 44.313 45.100 0.063 0.000 0.833 580 G HN 0.074 nan 8.290 nan 0.000 0.565 581 L N 0.337 121.879 121.223 0.532 0.000 2.387 581 L HA 0.829 5.169 4.340 -0.000 0.000 0.266 581 L C 0.340 177.388 176.870 0.296 0.000 1.059 581 L CA -1.078 54.058 54.840 0.493 0.000 0.801 581 L CB 1.598 43.990 42.059 0.555 0.000 1.223 581 L HN 0.721 nan 8.230 nan 0.000 0.456 582 I N -1.264 119.464 120.570 0.264 0.000 2.692 582 I HA 0.579 4.749 4.170 -0.000 0.000 0.293 582 I C -0.658 175.575 176.117 0.193 0.000 1.200 582 I CA -0.402 60.989 61.300 0.152 0.000 1.036 582 I CB 2.299 40.276 38.000 -0.039 0.000 1.258 582 I HN 0.571 nan 8.210 nan 0.000 0.421 583 S N 6.470 122.262 115.700 0.153 0.000 2.648 583 S HA 0.926 5.396 4.470 -0.000 0.000 0.305 583 S C -0.436 174.209 174.600 0.075 0.000 1.094 583 S CA -0.828 57.454 58.200 0.137 0.000 0.983 583 S CB 2.103 65.398 63.200 0.159 0.000 1.101 583 S HN 0.927 nan 8.310 nan 0.000 0.514 584 M N 1.075 120.712 119.600 0.061 0.000 2.520 584 M HA 0.713 5.193 4.480 -0.000 0.000 0.280 584 M C -1.595 174.715 176.300 0.017 0.000 1.232 584 M CA -0.808 54.504 55.300 0.019 0.000 0.892 584 M CB 1.787 34.397 32.600 0.017 0.000 1.728 584 M HN 0.872 nan 8.290 nan 0.000 0.475 585 I N 0.362 120.929 120.570 -0.006 0.000 3.434 585 I HA 0.420 4.590 4.170 -0.000 0.000 0.317 585 I C -1.577 174.528 176.117 -0.020 0.000 1.230 585 I CA -0.447 60.849 61.300 -0.005 0.000 0.918 585 I CB 2.662 40.663 38.000 0.001 0.000 1.337 585 I HN 0.981 nan 8.210 nan 0.000 0.482 586 D N 4.775 125.163 120.400 -0.021 0.000 2.470 586 D HA 0.291 4.931 4.640 -0.000 0.000 0.226 586 D C -2.214 174.061 176.300 -0.042 0.000 1.196 586 D CA -1.890 52.091 54.000 -0.031 0.000 0.979 586 D CB 0.337 41.119 40.800 -0.030 0.000 1.059 586 D HN 0.109 nan 8.370 nan 0.000 0.515 587 P HA 0.141 nan 4.420 nan 0.000 0.269 587 P C -2.601 174.658 177.300 -0.068 0.000 1.209 587 P CA -1.090 61.974 63.100 -0.060 0.000 0.776 587 P CB 0.439 32.099 31.700 -0.067 0.000 0.876 588 P HA 0.215 nan 4.420 nan 0.000 0.293 588 P C 0.683 177.922 177.300 -0.100 0.000 1.298 588 P CA -0.300 62.741 63.100 -0.100 0.000 0.757 588 P CB 0.503 32.141 31.700 -0.103 0.000 1.262 589 R N -0.658 119.764 120.500 -0.130 0.000 2.697 589 R HA 0.353 4.693 4.340 -0.000 0.000 0.262 589 R C 1.578 177.831 176.300 -0.078 0.000 1.255 589 R CA -0.081 55.955 56.100 -0.107 0.000 1.136 589 R CB -0.541 29.676 30.300 -0.139 0.000 1.169 589 R HN 0.430 nan 8.270 nan 0.000 0.594 590 A N 0.464 123.253 122.820 -0.052 0.000 1.835 590 A HA -0.099 4.221 4.320 -0.000 0.000 0.215 590 A C 1.680 179.245 177.584 -0.031 0.000 1.199 590 A CA 2.097 54.113 52.037 -0.034 0.000 0.615 590 A CB -0.695 18.295 19.000 -0.017 0.000 0.838 590 A HN 0.696 nan 8.150 nan 0.000 0.444 591 A N -1.491 121.318 122.820 -0.018 0.000 2.470 591 A HA 0.507 4.827 4.320 -0.000 0.000 0.251 591 A C 1.655 179.233 177.584 -0.010 0.000 1.245 591 A CA 0.563 52.599 52.037 -0.002 0.000 0.932 591 A CB -0.233 18.783 19.000 0.026 0.000 1.037 591 A HN 0.274 nan 8.150 nan 0.000 0.522 592 V N 1.386 121.251 119.914 -0.080 0.000 2.252 592 V HA -0.279 3.841 4.120 -0.000 0.000 0.255 592 V C -0.090 175.944 176.094 -0.100 0.000 1.071 592 V CA 3.210 65.389 62.300 -0.201 0.000 1.050 592 V CB -1.045 30.575 31.823 -0.338 0.000 0.654 592 V HN 0.427 nan 8.190 nan 0.000 0.448 593 P HA -0.133 nan 4.420 nan 0.000 0.211 593 P C 1.487 178.785 177.300 -0.003 0.000 1.179 593 P CA 1.643 64.720 63.100 -0.039 0.000 0.910 593 P CB -0.132 31.546 31.700 -0.036 0.000 0.785 594 D N -0.847 119.554 120.400 0.003 0.000 2.149 594 D HA -0.195 4.445 4.640 -0.000 0.000 0.194 594 D C 1.842 178.165 176.300 0.038 0.000 1.001 594 D CA 1.714 55.723 54.000 0.016 0.000 0.849 594 D CB -0.551 40.257 40.800 0.014 0.000 0.939 594 D HN -0.019 nan 8.370 nan 0.000 0.449 595 A N 0.261 123.123 122.820 0.070 0.000 1.841 595 A HA -0.178 4.142 4.320 -0.000 0.000 0.216 595 A C 2.672 180.327 177.584 0.117 0.000 1.199 595 A CA 2.093 54.206 52.037 0.127 0.000 0.621 595 A CB -1.084 18.088 19.000 0.287 0.000 0.835 595 A HN 0.172 nan 8.150 nan 0.000 0.445 596 V N 0.230 120.218 119.914 0.125 0.000 2.317 596 V HA -0.307 3.813 4.120 -0.000 0.000 0.251 596 V C 2.803 178.931 176.094 0.055 0.000 1.065 596 V CA 2.256 64.616 62.300 0.100 0.000 1.049 596 V CB -1.696 30.160 31.823 0.056 0.000 0.651 596 V HN 0.687 nan 8.190 nan 0.000 0.450 597 G N -0.168 108.655 108.800 0.037 0.000 2.476 597 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.218 597 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.218 597 G C 1.608 176.521 174.900 0.021 0.000 1.164 597 G CA 0.993 46.107 45.100 0.023 0.000 0.768 597 G HN 0.408 nan 8.290 nan 0.000 0.560 598 K N 0.233 120.647 120.400 0.025 0.000 2.015 598 K HA -0.155 4.165 4.320 -0.000 0.000 0.216 598 K C 2.606 179.212 176.600 0.009 0.000 1.052 598 K CA 1.425 57.721 56.287 0.015 0.000 0.937 598 K CB -1.280 31.230 32.500 0.016 0.000 0.719 598 K HN 0.396 nan 8.250 nan 0.000 0.446 599 C N 0.813 120.122 119.300 0.016 0.000 2.413 599 C HA -0.063 4.397 4.460 -0.000 0.000 0.277 599 C C 2.750 177.743 174.990 0.005 0.000 1.265 599 C CA 0.492 59.513 59.018 0.005 0.000 1.752 599 C CB -0.848 26.900 27.740 0.013 0.000 1.998 599 C HN 0.441 nan 8.230 nan 0.000 0.489 600 R N 0.807 121.314 120.500 0.013 0.000 2.092 600 R HA -0.079 4.261 4.340 -0.000 0.000 0.231 600 R C 2.227 178.530 176.300 0.005 0.000 1.119 600 R CA 1.455 57.561 56.100 0.010 0.000 0.970 600 R CB -0.531 29.777 30.300 0.014 0.000 0.864 600 R HN 0.470 nan 8.270 nan 0.000 0.440 601 S N 0.893 116.595 115.700 0.004 0.000 2.447 601 S HA -0.062 4.408 4.470 -0.000 0.000 0.233 601 S C 1.871 176.469 174.600 -0.004 0.000 1.006 601 S CA 1.096 59.296 58.200 0.001 0.000 0.957 601 S CB 0.099 63.300 63.200 0.001 0.000 0.773 601 S HN 0.444 nan 8.310 nan 0.000 0.507 602 A N 0.263 123.079 122.820 -0.007 0.000 2.132 602 A HA 0.509 4.829 4.320 -0.000 0.000 0.213 602 A C 1.632 179.207 177.584 -0.015 0.000 1.154 602 A CA 0.801 52.830 52.037 -0.014 0.000 0.753 602 A CB -0.452 18.536 19.000 -0.020 0.000 0.826 602 A HN 0.867 nan 8.150 nan 0.000 0.469 603 G N -0.946 107.849 108.800 -0.009 0.000 2.134 603 G HA2 -0.162 3.798 3.960 -0.000 0.000 0.209 603 G HA3 -0.162 3.798 3.960 -0.000 0.000 0.209 603 G C -0.001 174.893 174.900 -0.010 0.000 0.993 603 G CA 0.042 45.137 45.100 -0.008 0.000 0.669 603 G HN 0.386 nan 8.290 nan 0.000 0.519 604 I N 0.907 121.471 120.570 -0.010 0.000 2.371 604 I HA 0.247 4.417 4.170 -0.000 0.000 0.290 604 I C 0.847 176.966 176.117 0.003 0.000 1.028 604 I CA -0.511 60.783 61.300 -0.010 0.000 1.345 604 I CB 1.357 39.347 38.000 -0.016 0.000 1.407 604 I HN 0.042 nan 8.210 nan 0.000 0.501 605 K N 5.934 126.336 120.400 0.005 0.000 2.349 605 K HA 0.331 4.651 4.320 -0.000 0.000 0.288 605 K C -0.993 175.621 176.600 0.024 0.000 1.058 605 K CA -0.373 55.924 56.287 0.017 0.000 0.953 605 K CB 0.788 33.299 32.500 0.020 0.000 0.997 605 K HN 0.384 nan 8.250 nan 0.000 0.477 606 V N 6.704 126.636 119.914 0.031 0.000 2.407 606 V HA 0.404 4.524 4.120 -0.000 0.000 0.278 606 V C 0.080 176.202 176.094 0.045 0.000 1.037 606 V CA -0.627 61.696 62.300 0.040 0.000 0.900 606 V CB 1.081 32.929 31.823 0.042 0.000 0.983 606 V HN 0.688 nan 8.190 nan 0.000 0.459 607 I N 5.206 125.808 120.570 0.054 0.000 2.512 607 I HA 0.396 4.565 4.170 -0.000 0.000 0.287 607 I C -0.322 175.839 176.117 0.073 0.000 1.069 607 I CA -0.397 60.949 61.300 0.077 0.000 1.056 607 I CB 2.001 40.065 38.000 0.106 0.000 1.229 607 I HN 0.623 nan 8.210 nan 0.000 0.429 608 M N 7.783 127.426 119.600 0.071 0.000 2.120 608 M HA 0.409 4.889 4.480 -0.000 0.000 0.354 608 M C -1.524 174.830 176.300 0.090 0.000 1.287 608 M CA -0.160 55.171 55.300 0.051 0.000 1.103 608 M CB 0.774 33.384 32.600 0.017 0.000 1.623 608 M HN 0.342 nan 8.290 nan 0.000 0.471 609 V N 5.002 124.945 119.914 0.048 0.000 2.266 609 V HA 0.379 4.499 4.120 -0.000 0.000 0.271 609 V C -0.146 175.940 176.094 -0.013 0.000 1.032 609 V CA -0.432 61.889 62.300 0.034 0.000 0.806 609 V CB 1.023 32.826 31.823 -0.034 0.000 1.052 609 V HN 0.933 nan 8.190 nan 0.000 0.449 610 T N 2.602 117.144 114.554 -0.019 0.000 2.893 610 T HA 0.579 4.929 4.350 -0.000 0.000 0.291 610 T C 0.970 175.612 174.700 -0.096 0.000 1.028 610 T CA 0.266 62.329 62.100 -0.062 0.000 0.995 610 T CB 1.829 70.659 68.868 -0.065 0.000 1.051 610 T HN 0.647 nan 8.240 nan 0.000 0.470 611 G N 2.241 110.964 108.800 -0.129 0.000 3.262 611 G HA2 0.173 4.133 3.960 -0.000 0.000 0.228 611 G HA3 0.173 4.133 3.960 -0.000 0.000 0.228 611 G C 0.319 175.071 174.900 -0.247 0.000 1.197 611 G CA -0.178 44.816 45.100 -0.177 0.000 0.819 611 G HN 0.686 nan 8.290 nan 0.000 0.531 612 D N -0.225 120.041 120.400 -0.223 0.000 2.451 612 D HA 0.121 4.761 4.640 -0.000 0.000 0.259 612 D C 0.090 176.207 176.300 -0.306 0.000 1.201 612 D CA -0.637 53.191 54.000 -0.287 0.000 1.028 612 D CB 0.532 41.242 40.800 -0.151 0.000 1.095 612 D HN 0.105 nan 8.370 nan 0.000 0.539 613 H N 0.405 119.456 119.070 -0.031 0.000 2.610 613 H HA 0.144 4.700 4.556 -0.000 0.000 0.336 613 H C -1.512 173.823 175.328 0.012 0.000 1.087 613 H CA -1.487 54.569 56.048 0.014 0.000 1.405 613 H CB 0.955 30.741 29.762 0.042 0.000 1.460 613 H HN 0.305 nan 8.280 nan 0.000 0.538 614 P HA -0.250 nan 4.420 nan 0.000 0.217 614 P C 1.654 178.990 177.300 0.060 0.000 1.162 614 P CA 1.064 64.219 63.100 0.091 0.000 0.901 614 P CB 0.250 32.026 31.700 0.127 0.000 0.793 615 I N -0.698 119.916 120.570 0.073 0.000 2.093 615 I HA -0.292 3.878 4.170 -0.000 0.000 0.239 615 I C 2.121 178.252 176.117 0.022 0.000 1.026 615 I CA 2.252 63.572 61.300 0.032 0.000 1.295 615 I CB -2.256 35.757 38.000 0.022 0.000 1.007 615 I HN 0.047 nan 8.210 nan 0.000 0.401 616 T N 1.044 115.623 114.554 0.041 0.000 2.904 616 T HA 0.021 4.371 4.350 -0.000 0.000 0.267 616 T C 1.982 176.684 174.700 0.003 0.000 1.059 616 T CA 1.187 63.300 62.100 0.021 0.000 1.137 616 T CB -0.343 68.545 68.868 0.034 0.000 0.879 616 T HN 0.471 nan 8.240 nan 0.000 0.467 617 A N 2.359 125.182 122.820 0.005 0.000 1.834 617 A HA -0.163 4.157 4.320 -0.000 0.000 0.216 617 A C 2.178 179.749 177.584 -0.021 0.000 1.203 617 A CA 2.096 54.123 52.037 -0.016 0.000 0.621 617 A CB -0.768 18.219 19.000 -0.023 0.000 0.841 617 A HN 0.475 nan 8.150 nan 0.000 0.446 618 K N -0.268 120.120 120.400 -0.019 0.000 2.228 618 K HA -0.186 4.134 4.320 -0.000 0.000 0.205 618 K C 1.965 178.551 176.600 -0.023 0.000 1.045 618 K CA 1.447 57.719 56.287 -0.026 0.000 0.931 618 K CB -0.340 32.145 32.500 -0.025 0.000 0.727 618 K HN 0.423 nan 8.250 nan 0.000 0.458 619 A N 1.616 124.425 122.820 -0.019 0.000 1.832 619 A HA -0.123 4.197 4.320 -0.000 0.000 0.214 619 A C 1.980 179.551 177.584 -0.021 0.000 1.200 619 A CA 1.425 53.450 52.037 -0.019 0.000 0.610 619 A CB -0.514 18.478 19.000 -0.014 0.000 0.842 619 A HN 0.295 nan 8.150 nan 0.000 0.444 620 I N 0.427 120.982 120.570 -0.025 0.000 2.399 620 I HA -0.277 3.893 4.170 -0.000 0.000 0.254 620 I C 2.828 178.923 176.117 -0.037 0.000 1.146 620 I CA 1.388 62.668 61.300 -0.034 0.000 1.412 620 I CB -1.752 36.222 38.000 -0.044 0.000 1.076 620 I HN 0.388 nan 8.210 nan 0.000 0.432 621 A N 1.374 124.175 122.820 -0.032 0.000 1.865 621 A HA -0.221 4.098 4.320 -0.000 0.000 0.217 621 A C 2.338 179.907 177.584 -0.025 0.000 1.191 621 A CA 1.655 53.675 52.037 -0.029 0.000 0.623 621 A CB -0.538 18.446 19.000 -0.028 0.000 0.826 621 A HN 0.378 nan 8.150 nan 0.000 0.444 622 K N -0.776 119.611 120.400 -0.022 0.000 2.362 622 K HA -0.030 4.290 4.320 -0.000 0.000 0.200 622 K C 1.792 178.381 176.600 -0.018 0.000 1.046 622 K CA 0.745 57.021 56.287 -0.018 0.000 0.952 622 K CB -0.218 32.271 32.500 -0.018 0.000 0.753 622 K HN 0.483 nan 8.250 nan 0.000 0.466 623 G N 0.723 109.510 108.800 -0.022 0.000 2.683 623 G HA2 -0.087 3.873 3.960 -0.000 0.000 0.213 623 G HA3 -0.087 3.873 3.960 -0.000 0.000 0.213 623 G C 1.385 176.267 174.900 -0.031 0.000 1.142 623 G CA 0.557 45.644 45.100 -0.022 0.000 0.793 623 G HN 0.251 nan 8.290 nan 0.000 0.534 624 V N -3.636 116.256 119.914 -0.037 0.000 3.661 624 V HA 0.583 4.703 4.120 -0.000 0.000 0.271 624 V C 1.557 177.635 176.094 -0.026 0.000 1.315 624 V CA 0.858 63.131 62.300 -0.045 0.000 1.072 624 V CB -0.011 31.770 31.823 -0.071 0.000 0.830 624 V HN 0.967 nan 8.190 nan 0.000 0.443 625 G N 0.837 109.627 108.800 -0.018 0.000 2.144 625 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.218 625 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.218 625 G C 0.517 175.416 174.900 -0.002 0.000 0.988 625 G CA 0.395 45.491 45.100 -0.007 0.000 0.659 625 G HN 0.497 nan 8.290 nan 0.000 0.522 626 I N -0.030 120.537 120.570 -0.005 0.000 2.394 626 I HA 0.124 4.294 4.170 -0.000 0.000 0.251 626 I C 1.187 177.304 176.117 0.000 0.000 1.136 626 I CA 1.208 62.509 61.300 0.002 0.000 1.425 626 I CB -0.007 37.991 38.000 -0.002 0.000 1.079 626 I HN 0.195 nan 8.210 nan 0.000 0.425 627 I N 0.928 121.495 120.570 -0.006 0.000 2.411 627 I HA 0.124 4.294 4.170 -0.000 0.000 0.284 627 I C 0.485 176.599 176.117 -0.005 0.000 1.012 627 I CA -0.434 60.862 61.300 -0.006 0.000 1.119 627 I CB 1.486 39.477 38.000 -0.014 0.000 1.261 627 I HN 0.074 nan 8.210 nan 0.000 0.448 628 S N 4.222 119.921 115.700 -0.001 0.000 2.641 628 S HA 0.336 4.806 4.470 -0.000 0.000 0.261 628 S C -0.040 174.558 174.600 -0.003 0.000 1.257 628 S CA -0.622 57.577 58.200 -0.001 0.000 0.983 628 S CB 1.414 64.615 63.200 0.002 0.000 0.990 628 S HN 0.530 nan 8.310 nan 0.000 0.572 629 E N -0.255 119.943 120.200 -0.004 0.000 2.398 629 E HA 0.440 4.790 4.350 -0.000 0.000 0.263 629 E C 1.408 178.005 176.600 -0.005 0.000 1.046 629 E CA 1.354 57.750 56.400 -0.006 0.000 0.908 629 E CB 0.092 29.788 29.700 -0.006 0.000 0.963 629 E HN 1.105 nan 8.360 nan 0.000 0.431 630 G N 3.701 112.497 108.800 -0.006 0.000 2.267 630 G HA2 -0.320 3.640 3.960 -0.000 0.000 0.257 630 G HA3 -0.320 3.640 3.960 -0.000 0.000 0.257 630 G C 0.349 175.247 174.900 -0.003 0.000 0.998 630 G CA 0.316 45.413 45.100 -0.006 0.000 0.620 630 G HN 0.583 nan 8.290 nan 0.000 0.529 631 N N 1.177 119.876 118.700 -0.001 0.000 2.513 631 N HA 0.467 5.207 4.740 -0.000 0.000 0.274 631 N C -0.253 175.257 175.510 0.001 0.000 1.189 631 N CA 0.325 53.377 53.050 0.004 0.000 0.975 631 N CB 0.663 39.156 38.487 0.009 0.000 1.157 631 N HN 0.570 nan 8.380 nan 0.000 0.465 632 E N -0.290 119.914 120.200 0.007 0.000 2.367 632 E HA 0.236 4.586 4.350 -0.000 0.000 0.273 632 E C -0.640 175.967 176.600 0.012 0.000 0.903 632 E CA -0.855 55.547 56.400 0.003 0.000 0.764 632 E CB 1.817 31.518 29.700 0.001 0.000 1.252 632 E HN 0.556 nan 8.360 nan 0.000 0.446 633 T N -2.406 112.148 114.554 -0.001 0.000 2.874 633 T HA 0.162 4.512 4.350 -0.000 0.000 0.281 633 T C 1.566 176.272 174.700 0.010 0.000 0.994 633 T CA -0.421 61.678 62.100 -0.001 0.000 1.015 633 T CB 1.014 69.865 68.868 -0.028 0.000 1.028 633 T HN 0.351 nan 8.240 nan 0.000 0.523 634 V N -0.415 119.512 119.914 0.022 0.000 2.453 634 V HA -0.164 3.956 4.120 -0.000 0.000 0.252 634 V C 2.231 178.327 176.094 0.004 0.000 1.068 634 V CA 1.944 64.257 62.300 0.022 0.000 1.070 634 V CB -1.474 30.369 31.823 0.033 0.000 0.664 634 V HN 0.864 nan 8.190 nan 0.000 0.461 635 E N 0.792 120.988 120.200 -0.006 0.000 2.046 635 E HA -0.118 4.232 4.350 -0.000 0.000 0.190 635 E C 1.998 178.590 176.600 -0.013 0.000 0.982 635 E CA 1.372 57.765 56.400 -0.012 0.000 0.800 635 E CB -0.492 29.197 29.700 -0.018 0.000 0.756 635 E HN 0.631 nan 8.360 nan 0.000 0.449 636 D N 0.522 120.914 120.400 -0.013 0.000 2.116 636 D HA -0.179 4.461 4.640 -0.000 0.000 0.193 636 D C 1.991 178.284 176.300 -0.012 0.000 0.998 636 D CA 0.995 54.986 54.000 -0.015 0.000 0.836 636 D CB -0.254 40.538 40.800 -0.013 0.000 0.951 636 D HN 0.204 nan 8.370 nan 0.000 0.449 637 I N 1.187 121.753 120.570 -0.007 0.000 2.179 637 I HA -0.273 3.897 4.170 -0.000 0.000 0.242 637 I C 2.552 178.664 176.117 -0.009 0.000 1.088 637 I CA 1.081 62.377 61.300 -0.007 0.000 1.357 637 I CB -0.360 37.638 38.000 -0.003 0.000 1.051 637 I HN -0.069 nan 8.210 nan 0.000 0.409 638 A N 0.830 123.645 122.820 -0.008 0.000 1.948 638 A HA -0.242 4.078 4.320 -0.000 0.000 0.220 638 A C 2.497 180.074 177.584 -0.012 0.000 1.177 638 A CA 2.222 54.253 52.037 -0.010 0.000 0.636 638 A CB -0.772 18.223 19.000 -0.009 0.000 0.815 638 A HN 0.490 nan 8.150 nan 0.000 0.449 639 A N -0.732 122.079 122.820 -0.015 0.000 1.898 639 A HA -0.038 4.282 4.320 -0.000 0.000 0.214 639 A C 2.219 179.792 177.584 -0.017 0.000 1.183 639 A CA 1.468 53.494 52.037 -0.018 0.000 0.622 639 A CB -0.435 18.552 19.000 -0.021 0.000 0.824 639 A HN 0.561 nan 8.150 nan 0.000 0.444 640 R N -0.797 119.693 120.500 -0.016 0.000 2.070 640 R HA -0.085 4.255 4.340 -0.000 0.000 0.232 640 R C 1.253 177.544 176.300 -0.014 0.000 1.138 640 R CA 1.624 57.715 56.100 -0.015 0.000 0.936 640 R CB -0.378 29.913 30.300 -0.014 0.000 0.839 640 R HN 0.351 nan 8.270 nan 0.000 0.429 641 L N 1.924 123.140 121.223 -0.012 0.000 2.610 641 L HA 0.029 4.369 4.340 -0.000 0.000 0.232 641 L C 0.295 177.158 176.870 -0.011 0.000 1.149 641 L CA 0.704 55.537 54.840 -0.011 0.000 0.872 641 L CB -1.141 40.912 42.059 -0.010 0.000 0.992 641 L HN 0.380 nan 8.230 nan 0.000 0.447 642 N N 0.571 119.264 118.700 -0.012 0.000 2.725 642 N HA -0.240 4.500 4.740 -0.000 0.000 0.251 642 N C -0.182 175.322 175.510 -0.011 0.000 1.031 642 N CA 0.955 53.997 53.050 -0.012 0.000 0.720 642 N CB -0.894 37.586 38.487 -0.012 0.000 0.930 642 N HN 0.578 nan 8.380 nan 0.000 0.543 643 I N -3.506 117.058 120.570 -0.010 0.000 3.100 643 I HA 0.802 4.972 4.170 -0.000 0.000 0.312 643 I C -1.874 174.238 176.117 -0.008 0.000 1.063 643 I CA -2.211 59.084 61.300 -0.009 0.000 1.031 643 I CB 1.491 39.486 38.000 -0.008 0.000 1.243 643 I HN -0.206 nan 8.210 nan 0.000 0.483 644 P HA 0.100 nan 4.420 nan 0.000 0.274 644 P C 0.900 178.197 177.300 -0.006 0.000 1.264 644 P CA -0.445 62.651 63.100 -0.007 0.000 0.795 644 P CB 0.526 32.223 31.700 -0.005 0.000 1.064 645 V N -1.500 118.411 119.914 -0.005 0.000 2.407 645 V HA -0.114 4.006 4.120 -0.000 0.000 0.245 645 V C 1.453 177.547 176.094 -0.000 0.000 1.041 645 V CA 1.981 64.279 62.300 -0.003 0.000 1.040 645 V CB -1.746 30.075 31.823 -0.004 0.000 0.671 645 V HN 0.609 nan 8.190 nan 0.000 0.455 646 S N -0.449 115.251 115.700 0.000 0.000 2.767 646 S HA 0.226 4.696 4.470 -0.000 0.000 0.253 646 S C 0.909 175.509 174.600 -0.000 0.000 1.082 646 S CA -0.253 57.948 58.200 0.002 0.000 1.148 646 S CB 0.082 63.283 63.200 0.003 0.000 0.808 646 S HN 0.556 nan 8.310 nan 0.000 0.466 647 Q N 0.057 119.856 119.800 -0.002 0.000 2.113 647 Q HA 0.322 4.662 4.340 -0.000 0.000 0.225 647 Q C -0.564 175.433 176.000 -0.005 0.000 0.786 647 Q CA 0.104 55.905 55.803 -0.004 0.000 0.989 647 Q CB 1.479 30.214 28.738 -0.005 0.000 1.174 647 Q HN 0.477 nan 8.270 nan 0.000 0.470 648 V N 2.387 122.299 119.914 -0.003 0.000 2.370 648 V HA 0.228 4.348 4.120 -0.000 0.000 0.283 648 V C 0.358 176.449 176.094 -0.005 0.000 1.023 648 V CA -0.790 61.508 62.300 -0.004 0.000 0.857 648 V CB 1.420 33.242 31.823 -0.001 0.000 0.985 648 V HN 0.250 nan 8.190 nan 0.000 0.443 649 N N 6.421 125.113 118.700 -0.012 0.000 2.386 649 N HA 0.004 4.744 4.740 -0.000 0.000 0.273 649 N C -1.568 173.930 175.510 -0.019 0.000 1.331 649 N CA -1.066 51.971 53.050 -0.022 0.000 0.891 649 N CB 1.193 39.660 38.487 -0.033 0.000 1.139 649 N HN 0.382 nan 8.380 nan 0.000 0.487 650 P HA -0.173 nan 4.420 nan 0.000 0.218 650 P C 0.947 178.227 177.300 -0.034 0.000 1.146 650 P CA 1.006 64.112 63.100 0.009 0.000 0.813 650 P CB 0.205 31.919 31.700 0.023 0.000 0.778 651 R N -0.529 119.921 120.500 -0.083 0.000 2.148 651 R HA -0.066 4.274 4.340 -0.000 0.000 0.227 651 R C 1.221 177.473 176.300 -0.079 0.000 1.103 651 R CA 1.034 57.059 56.100 -0.126 0.000 0.983 651 R CB -1.199 29.009 30.300 -0.154 0.000 0.874 651 R HN 0.277 nan 8.270 nan 0.000 0.451 652 D N 0.668 121.041 120.400 -0.045 0.000 2.348 652 D HA -0.002 4.637 4.640 -0.000 0.000 0.216 652 D C 0.100 176.397 176.300 -0.004 0.000 0.970 652 D CA 0.499 54.483 54.000 -0.025 0.000 0.889 652 D CB 0.140 40.929 40.800 -0.018 0.000 0.912 652 D HN 0.087 nan 8.370 nan 0.000 0.524 653 A N 1.032 123.859 122.820 0.012 0.000 2.621 653 A HA 0.146 4.466 4.320 -0.000 0.000 0.329 653 A C 1.395 179.041 177.584 0.103 0.000 1.458 653 A CA -0.450 51.626 52.037 0.064 0.000 1.052 653 A CB 0.356 19.421 19.000 0.108 0.000 1.142 653 A HN -0.186 nan 8.150 nan 0.000 0.523 654 K N 1.191 121.635 120.400 0.073 0.000 2.148 654 K HA -0.035 4.285 4.320 -0.000 0.000 0.204 654 K C 1.119 177.834 176.600 0.192 0.000 1.050 654 K CA 1.375 57.712 56.287 0.085 0.000 0.942 654 K CB -0.070 32.455 32.500 0.043 0.000 0.724 654 K HN 0.759 nan 8.250 nan 0.000 0.446 655 A N 0.411 123.319 122.820 0.148 0.000 2.247 655 A HA 0.568 4.888 4.320 -0.000 0.000 0.313 655 A C 0.208 177.811 177.584 0.032 0.000 1.109 655 A CA -0.197 51.893 52.037 0.087 0.000 0.890 655 A CB 0.716 19.726 19.000 0.017 0.000 1.239 655 A HN 0.494 nan 8.150 nan 0.000 0.506 656 C N -3.232 115.975 119.300 -0.155 0.000 3.211 656 C HA 0.755 5.214 4.460 -0.000 0.000 0.350 656 C C -1.282 173.554 174.990 -0.256 0.000 1.413 656 C CA -0.645 58.217 59.018 -0.260 0.000 1.203 656 C CB 0.553 27.943 27.740 -0.582 0.000 1.506 656 C HN 1.030 nan 8.230 nan 0.000 0.448 657 V N 0.445 120.215 119.914 -0.240 0.000 2.851 657 V HA 0.739 4.859 4.120 -0.000 0.000 0.307 657 V C -0.933 175.034 176.094 -0.213 0.000 1.129 657 V CA -0.374 61.796 62.300 -0.217 0.000 0.932 657 V CB 1.802 33.557 31.823 -0.112 0.000 1.024 657 V HN 0.960 nan 8.190 nan 0.000 0.426 658 V N 3.400 123.160 119.914 -0.256 0.000 2.443 658 V HA 0.424 4.544 4.120 -0.000 0.000 0.293 658 V C -0.217 175.867 176.094 -0.017 0.000 1.021 658 V CA -0.636 61.563 62.300 -0.167 0.000 0.848 658 V CB 1.481 33.113 31.823 -0.318 0.000 0.998 658 V HN 0.922 nan 8.190 nan 0.000 0.424 659 H N 3.019 122.072 119.070 -0.028 0.000 2.652 659 H HA 0.185 4.741 4.556 -0.000 0.000 0.349 659 H C 1.370 176.721 175.328 0.039 0.000 1.099 659 H CA 0.817 56.872 56.048 0.012 0.000 1.417 659 H CB 2.077 31.849 29.762 0.016 0.000 1.457 659 H HN 0.775 nan 8.280 nan 0.000 0.568 660 G N 2.407 111.154 108.800 -0.088 0.000 2.479 660 G HA2 -0.265 3.694 3.960 -0.000 0.000 0.220 660 G HA3 -0.265 3.694 3.960 -0.000 0.000 0.220 660 G C 1.633 176.628 174.900 0.157 0.000 1.115 660 G CA 0.859 45.977 45.100 0.030 0.000 0.757 660 G HN 0.575 nan 8.290 nan 0.000 0.560 661 S N -0.162 115.759 115.700 0.368 0.000 2.481 661 S HA -0.043 4.427 4.470 -0.000 0.000 0.231 661 S C 1.731 176.413 174.600 0.137 0.000 0.996 661 S CA 1.249 59.591 58.200 0.236 0.000 0.942 661 S CB -0.135 63.184 63.200 0.199 0.000 0.768 661 S HN 0.340 nan 8.310 nan 0.000 0.520 662 D N 0.671 121.157 120.400 0.144 0.000 2.327 662 D HA 0.152 4.792 4.640 -0.000 0.000 0.205 662 D C 1.664 178.016 176.300 0.086 0.000 0.989 662 D CA 0.256 54.310 54.000 0.091 0.000 0.873 662 D CB -0.053 40.794 40.800 0.078 0.000 0.955 662 D HN 0.350 nan 8.370 nan 0.000 0.515 663 L N 0.638 121.924 121.223 0.104 0.000 2.313 663 L HA -0.016 4.324 4.340 -0.000 0.000 0.214 663 L C 2.282 179.193 176.870 0.068 0.000 1.119 663 L CA 0.582 55.482 54.840 0.099 0.000 0.809 663 L CB 0.086 42.217 42.059 0.121 0.000 0.933 663 L HN -0.099 nan 8.230 nan 0.000 0.449 664 K N -0.072 120.367 120.400 0.065 0.000 2.113 664 K HA -0.220 4.100 4.320 -0.000 0.000 0.208 664 K C 0.560 177.185 176.600 0.042 0.000 1.047 664 K CA 1.754 58.071 56.287 0.050 0.000 0.928 664 K CB 0.132 32.665 32.500 0.056 0.000 0.716 664 K HN 0.226 nan 8.250 nan 0.000 0.446 665 D N -0.197 120.230 120.400 0.045 0.000 2.424 665 D HA 0.107 4.747 4.640 -0.000 0.000 0.220 665 D C -0.328 175.994 176.300 0.038 0.000 1.150 665 D CA 0.174 54.196 54.000 0.038 0.000 0.831 665 D CB 0.333 41.155 40.800 0.036 0.000 0.981 665 D HN 0.189 nan 8.370 nan 0.000 0.500 666 M N 0.581 120.207 119.600 0.044 0.000 2.144 666 M HA 0.132 4.612 4.480 -0.000 0.000 0.356 666 M C 0.497 176.818 176.300 0.036 0.000 1.217 666 M CA -0.004 55.324 55.300 0.046 0.000 1.087 666 M CB 1.589 34.228 32.600 0.065 0.000 1.609 666 M HN -0.210 nan 8.290 nan 0.000 0.467 667 T N 1.115 115.689 114.554 0.032 0.000 2.899 667 T HA 0.110 4.460 4.350 -0.000 0.000 0.295 667 T C 1.357 176.070 174.700 0.022 0.000 1.033 667 T CA -0.168 61.946 62.100 0.023 0.000 1.084 667 T CB 0.760 69.641 68.868 0.022 0.000 0.979 667 T HN 0.859 nan 8.240 nan 0.000 0.532 668 S N 2.939 118.645 115.700 0.011 0.000 2.400 668 S HA -0.162 4.308 4.470 -0.000 0.000 0.232 668 S C 1.586 176.190 174.600 0.006 0.000 1.025 668 S CA 1.349 59.551 58.200 0.004 0.000 0.993 668 S CB -0.495 62.701 63.200 -0.007 0.000 0.808 668 S HN 0.808 nan 8.310 nan 0.000 0.478 669 E N 1.674 121.880 120.200 0.010 0.000 2.153 669 E HA -0.116 4.234 4.350 -0.000 0.000 0.194 669 E C 2.304 178.914 176.600 0.017 0.000 0.988 669 E CA 1.453 57.859 56.400 0.010 0.000 0.811 669 E CB -0.380 29.330 29.700 0.016 0.000 0.746 669 E HN 0.715 nan 8.360 nan 0.000 0.466 670 Q N -0.104 119.715 119.800 0.032 0.000 2.049 670 Q HA -0.041 4.299 4.340 -0.000 0.000 0.198 670 Q C 2.232 178.266 176.000 0.058 0.000 0.971 670 Q CA 1.132 56.965 55.803 0.050 0.000 0.833 670 Q CB -0.136 28.637 28.738 0.058 0.000 0.896 670 Q HN 0.277 nan 8.270 nan 0.000 0.434 671 L N 0.542 121.803 121.223 0.064 0.000 2.012 671 L HA -0.231 4.108 4.340 -0.000 0.000 0.210 671 L C 1.868 178.772 176.870 0.056 0.000 1.073 671 L CA 1.042 55.941 54.840 0.098 0.000 0.748 671 L CB -0.853 41.246 42.059 0.066 0.000 0.891 671 L HN 0.178 nan 8.230 nan 0.000 0.431 672 D N 0.778 121.182 120.400 0.008 0.000 2.177 672 D HA -0.233 4.407 4.640 -0.000 0.000 0.189 672 D C 1.858 178.104 176.300 -0.092 0.000 1.002 672 D CA 1.876 55.855 54.000 -0.035 0.000 0.845 672 D CB -0.315 40.462 40.800 -0.039 0.000 0.960 672 D HN 0.324 nan 8.370 nan 0.000 0.447 673 D N -0.194 120.146 120.400 -0.099 0.000 2.178 673 D HA -0.086 4.554 4.640 -0.000 0.000 0.201 673 D C 2.288 178.473 176.300 -0.190 0.000 0.980 673 D CA 0.291 54.149 54.000 -0.237 0.000 0.842 673 D CB -0.224 40.548 40.800 -0.048 0.000 0.948 673 D HN 0.344 nan 8.370 nan 0.000 0.472 674 I N 0.105 120.690 120.570 0.024 0.000 2.252 674 I HA -0.234 3.936 4.170 -0.000 0.000 0.245 674 I C 1.942 178.164 176.117 0.175 0.000 1.102 674 I CA 0.561 61.960 61.300 0.165 0.000 1.385 674 I CB -0.055 38.023 38.000 0.130 0.000 1.064 674 I HN -0.021 nan 8.210 nan 0.000 0.414 675 L N 0.501 121.773 121.223 0.081 0.000 2.217 675 L HA -0.132 4.208 4.340 -0.000 0.000 0.211 675 L C 2.333 179.194 176.870 -0.015 0.000 1.107 675 L CA 1.638 56.522 54.840 0.073 0.000 0.783 675 L CB -0.624 41.471 42.059 0.060 0.000 0.919 675 L HN 0.089 nan 8.230 nan 0.000 0.442 676 K N -1.511 118.780 120.400 -0.182 0.000 2.076 676 K HA -0.068 4.252 4.320 -0.000 0.000 0.204 676 K C 1.546 178.032 176.600 -0.189 0.000 1.051 676 K CA 1.162 57.272 56.287 -0.295 0.000 0.949 676 K CB -0.066 32.077 32.500 -0.594 0.000 0.726 676 K HN 0.192 nan 8.250 nan 0.000 0.443 677 Y N -0.359 119.917 120.300 -0.040 0.000 2.466 677 Y HA 0.152 4.702 4.550 -0.000 0.000 0.272 677 Y C 0.207 175.913 175.900 -0.324 0.000 1.169 677 Y CA -0.180 57.811 58.100 -0.181 0.000 1.285 677 Y CB -0.300 38.013 38.460 -0.245 0.000 1.078 677 Y HN 0.029 nan 8.280 nan 0.000 0.523 678 H N -1.751 117.376 119.070 0.096 0.000 2.616 678 H HA 0.398 4.954 4.556 -0.000 0.000 0.353 678 H C 1.118 176.465 175.328 0.032 0.000 1.170 678 H CA 0.171 56.249 56.048 0.050 0.000 1.212 678 H CB 1.741 31.510 29.762 0.013 0.000 1.653 678 H HN -0.015 nan 8.280 nan 0.000 0.537 679 T N -2.021 112.623 114.554 0.151 0.000 3.026 679 T HA 0.186 4.536 4.350 -0.000 0.000 0.245 679 T C 0.250 174.992 174.700 0.070 0.000 1.004 679 T CA -0.141 62.010 62.100 0.085 0.000 1.069 679 T CB 0.256 69.158 68.868 0.056 0.000 1.005 679 T HN 0.535 nan 8.240 nan 0.000 0.472 680 E N 1.287 121.527 120.200 0.068 0.000 2.207 680 E HA 0.599 4.949 4.350 -0.000 0.000 0.250 680 E C -1.161 175.435 176.600 -0.007 0.000 0.890 680 E CA -0.397 56.021 56.400 0.030 0.000 0.749 680 E CB 1.715 31.426 29.700 0.019 0.000 1.193 680 E HN 0.492 nan 8.360 nan 0.000 0.423 681 I N 1.794 122.352 120.570 -0.020 0.000 2.603 681 I HA 0.478 4.648 4.170 -0.000 0.000 0.300 681 I C -0.529 175.530 176.117 -0.097 0.000 1.017 681 I CA -1.352 59.874 61.300 -0.122 0.000 1.098 681 I CB 2.096 40.030 38.000 -0.111 0.000 1.279 681 I HN 0.161 nan 8.210 nan 0.000 0.437 682 V N 5.160 124.952 119.914 -0.205 0.000 2.439 682 V HA 0.292 4.412 4.120 -0.000 0.000 0.277 682 V C -0.775 175.213 176.094 -0.178 0.000 1.008 682 V CA -0.462 61.775 62.300 -0.106 0.000 0.846 682 V CB 0.910 32.687 31.823 -0.078 0.000 1.031 682 V HN 0.391 nan 8.190 nan 0.000 0.441 683 F N 3.565 123.475 119.950 -0.067 0.000 2.471 683 F HA 0.648 5.175 4.527 -0.000 0.000 0.365 683 F C 0.904 176.646 175.800 -0.096 0.000 1.095 683 F CA 0.175 58.130 58.000 -0.075 0.000 1.174 683 F CB 0.888 39.847 39.000 -0.069 0.000 1.105 683 F HN 0.547 nan 8.300 nan 0.000 0.535 684 A N 2.845 125.667 122.820 0.003 0.000 2.288 684 A HA 0.754 5.074 4.320 -0.000 0.000 0.328 684 A C 0.714 178.158 177.584 -0.234 0.000 1.123 684 A CA -1.044 50.934 52.037 -0.098 0.000 0.861 684 A CB 0.731 19.672 19.000 -0.098 0.000 1.272 684 A HN 0.714 nan 8.150 nan 0.000 0.490 685 R N -0.601 119.712 120.500 -0.310 0.000 3.484 685 R HA -0.151 4.189 4.340 -0.000 0.000 0.260 685 R C 0.225 176.357 176.300 -0.280 0.000 1.053 685 R CA 1.187 57.037 56.100 -0.416 0.000 0.703 685 R CB -2.460 27.318 30.300 -0.870 0.000 1.089 685 R HN 1.229 nan 8.270 nan 0.000 0.459 686 T N -2.256 112.199 114.554 -0.165 0.000 2.889 686 T HA 0.565 4.915 4.350 -0.000 0.000 0.291 686 T C 0.466 175.104 174.700 -0.104 0.000 0.995 686 T CA -0.217 61.824 62.100 -0.099 0.000 1.092 686 T CB 1.637 70.471 68.868 -0.056 0.000 0.954 686 T HN 0.346 nan 8.240 nan 0.000 0.506 687 S N 2.650 118.300 115.700 -0.083 0.000 2.592 687 S HA 0.310 4.780 4.470 -0.000 0.000 0.271 687 S C -1.767 172.782 174.600 -0.085 0.000 1.326 687 S CA -1.268 56.882 58.200 -0.084 0.000 1.024 687 S CB 0.676 63.840 63.200 -0.060 0.000 0.921 687 S HN 0.486 nan 8.310 nan 0.000 0.527 688 P HA -0.224 nan 4.420 nan 0.000 0.219 688 P C 1.267 178.521 177.300 -0.077 0.000 1.161 688 P CA 1.599 64.650 63.100 -0.082 0.000 0.909 688 P CB -0.080 31.576 31.700 -0.074 0.000 0.793 689 Q N -0.945 118.815 119.800 -0.067 0.000 2.291 689 Q HA -0.168 4.172 4.340 -0.000 0.000 0.206 689 Q C 2.242 178.197 176.000 -0.075 0.000 0.976 689 Q CA 1.361 57.127 55.803 -0.062 0.000 0.875 689 Q CB -0.753 27.957 28.738 -0.046 0.000 0.927 689 Q HN 0.488 nan 8.270 nan 0.000 0.450 690 Q N 0.267 120.018 119.800 -0.083 0.000 2.083 690 Q HA -0.075 4.265 4.340 -0.000 0.000 0.198 690 Q C 1.772 177.675 176.000 -0.160 0.000 0.969 690 Q CA 0.795 56.533 55.803 -0.108 0.000 0.838 690 Q CB -0.049 28.636 28.738 -0.088 0.000 0.900 690 Q HN 0.347 nan 8.270 nan 0.000 0.436 691 K N 0.802 121.116 120.400 -0.143 0.000 2.032 691 K HA -0.247 4.073 4.320 -0.000 0.000 0.218 691 K C 2.143 178.653 176.600 -0.150 0.000 1.054 691 K CA 1.419 57.615 56.287 -0.152 0.000 0.941 691 K CB -0.615 31.819 32.500 -0.109 0.000 0.720 691 K HN 0.095 nan 8.250 nan 0.000 0.449 692 L N 1.967 123.121 121.223 -0.114 0.000 1.976 692 L HA -0.247 4.093 4.340 -0.000 0.000 0.223 692 L C 2.201 179.002 176.870 -0.115 0.000 1.081 692 L CA 1.801 56.581 54.840 -0.099 0.000 0.784 692 L CB -0.668 41.345 42.059 -0.077 0.000 0.896 692 L HN 0.177 nan 8.230 nan 0.000 0.438 693 I N -0.544 119.954 120.570 -0.120 0.000 2.335 693 I HA -0.302 3.868 4.170 -0.000 0.000 0.251 693 I C 2.683 178.697 176.117 -0.172 0.000 1.129 693 I CA 1.402 62.630 61.300 -0.121 0.000 1.402 693 I CB -1.224 36.714 38.000 -0.102 0.000 1.069 693 I HN 0.355 nan 8.210 nan 0.000 0.424 694 I N 0.210 120.622 120.570 -0.263 0.000 2.113 694 I HA -0.268 3.902 4.170 -0.000 0.000 0.238 694 I C 2.653 178.630 176.117 -0.233 0.000 1.070 694 I CA 1.165 62.235 61.300 -0.384 0.000 1.332 694 I CB -0.502 37.135 38.000 -0.606 0.000 1.044 694 I HN -0.014 nan 8.210 nan 0.000 0.402 695 V N 0.831 120.637 119.914 -0.181 0.000 2.220 695 V HA -0.375 3.745 4.120 -0.000 0.000 0.250 695 V C 2.431 178.467 176.094 -0.097 0.000 1.056 695 V CA 2.293 64.521 62.300 -0.120 0.000 1.016 695 V CB -0.780 30.983 31.823 -0.099 0.000 0.639 695 V HN 0.439 nan 8.190 nan 0.000 0.446 696 E N -0.124 120.020 120.200 -0.093 0.000 2.086 696 E HA -0.272 4.078 4.350 -0.000 0.000 0.205 696 E C 2.265 178.824 176.600 -0.068 0.000 1.027 696 E CA 1.607 57.964 56.400 -0.073 0.000 0.830 696 E CB -0.640 29.019 29.700 -0.068 0.000 0.751 696 E HN 0.667 nan 8.360 nan 0.000 0.456 697 G N 0.041 108.792 108.800 -0.081 0.000 2.442 697 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.219 697 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.219 697 G C 1.659 176.526 174.900 -0.054 0.000 1.141 697 G CA 1.006 46.066 45.100 -0.066 0.000 0.763 697 G HN 0.338 nan 8.290 nan 0.000 0.554 698 C N -0.059 119.203 119.300 -0.063 0.000 2.446 698 C HA 0.003 4.463 4.460 -0.000 0.000 0.277 698 C C 2.922 177.887 174.990 -0.042 0.000 1.275 698 C CA 0.888 59.879 59.018 -0.045 0.000 1.727 698 C CB -0.839 26.873 27.740 -0.047 0.000 2.010 698 C HN 0.524 nan 8.230 nan 0.000 0.486 699 Q N 0.089 119.860 119.800 -0.047 0.000 2.170 699 Q HA -0.171 4.169 4.340 -0.000 0.000 0.203 699 Q C 2.290 178.268 176.000 -0.036 0.000 0.976 699 Q CA 1.057 56.834 55.803 -0.042 0.000 0.858 699 Q CB -0.231 28.480 28.738 -0.045 0.000 0.907 699 Q HN 0.586 nan 8.270 nan 0.000 0.433 700 R N 0.297 120.774 120.500 -0.037 0.000 2.241 700 R HA -0.129 4.211 4.340 -0.000 0.000 0.224 700 R C 1.812 178.095 176.300 -0.029 0.000 1.101 700 R CA 0.903 56.984 56.100 -0.032 0.000 0.995 700 R CB 0.261 30.542 30.300 -0.032 0.000 0.870 700 R HN 0.249 nan 8.270 nan 0.000 0.463 701 Q N -1.512 118.269 119.800 -0.031 0.000 2.269 701 Q HA 0.084 4.424 4.340 -0.000 0.000 0.201 701 Q C 1.238 177.223 176.000 -0.026 0.000 0.946 701 Q CA 1.224 57.010 55.803 -0.029 0.000 0.877 701 Q CB 0.830 29.550 28.738 -0.030 0.000 0.963 701 Q HN 0.551 nan 8.270 nan 0.000 0.472 702 G N 0.038 108.822 108.800 -0.027 0.000 2.192 702 G HA2 -0.149 3.811 3.960 -0.000 0.000 0.193 702 G HA3 -0.149 3.811 3.960 -0.000 0.000 0.193 702 G C 0.294 175.176 174.900 -0.030 0.000 0.999 702 G CA -0.026 45.058 45.100 -0.027 0.000 0.659 702 G HN 0.577 nan 8.290 nan 0.000 0.503 703 A N 0.407 123.208 122.820 -0.031 0.000 2.313 703 A HA 0.718 5.038 4.320 -0.000 0.000 0.261 703 A C 0.370 177.931 177.584 -0.039 0.000 1.090 703 A CA -0.116 51.900 52.037 -0.034 0.000 0.807 703 A CB 0.326 19.308 19.000 -0.030 0.000 1.055 703 A HN 0.621 nan 8.150 nan 0.000 0.492 704 I N 2.123 122.667 120.570 -0.043 0.000 2.307 704 I HA 0.329 4.499 4.170 -0.000 0.000 0.289 704 I C -0.026 176.063 176.117 -0.046 0.000 1.021 704 I CA -0.414 60.858 61.300 -0.046 0.000 1.224 704 I CB 0.132 38.100 38.000 -0.053 0.000 1.376 704 I HN 0.380 nan 8.210 nan 0.000 0.470 705 V N 3.191 123.077 119.914 -0.046 0.000 2.495 705 V HA 0.975 5.095 4.120 -0.000 0.000 0.298 705 V C 0.086 176.151 176.094 -0.049 0.000 1.031 705 V CA -0.791 61.483 62.300 -0.045 0.000 0.871 705 V CB 1.433 33.229 31.823 -0.045 0.000 0.988 705 V HN 0.761 nan 8.190 nan 0.000 0.432 706 A N 4.015 126.807 122.820 -0.048 0.000 2.330 706 A HA 0.869 5.189 4.320 -0.000 0.000 0.327 706 A C -0.592 176.964 177.584 -0.045 0.000 1.155 706 A CA -0.708 51.297 52.037 -0.053 0.000 0.803 706 A CB 1.718 20.680 19.000 -0.064 0.000 1.208 706 A HN 1.098 nan 8.150 nan 0.000 0.477 707 V N 2.208 122.094 119.914 -0.048 0.000 2.459 707 V HA 0.630 4.750 4.120 -0.000 0.000 0.295 707 V C 0.217 176.291 176.094 -0.033 0.000 1.029 707 V CA 0.037 62.314 62.300 -0.038 0.000 0.874 707 V CB 1.866 33.661 31.823 -0.047 0.000 0.985 707 V HN 1.050 nan 8.190 nan 0.000 0.438 708 T N 1.267 115.817 114.554 -0.006 0.000 2.991 708 T HA 0.753 5.103 4.350 -0.000 0.000 0.347 708 T C -0.056 174.661 174.700 0.030 0.000 1.122 708 T CA -0.314 61.795 62.100 0.015 0.000 1.062 708 T CB 0.943 69.848 68.868 0.061 0.000 1.043 708 T HN 0.895 nan 8.240 nan 0.000 0.491 709 G N 1.541 110.339 108.800 -0.003 0.000 2.714 709 G HA2 0.650 4.610 3.960 -0.000 0.000 0.292 709 G HA3 0.650 4.610 3.960 -0.000 0.000 0.292 709 G C -0.193 174.692 174.900 -0.025 0.000 1.308 709 G CA -0.598 44.493 45.100 -0.015 0.000 0.964 709 G HN 0.528 nan 8.290 nan 0.000 0.484 710 D N -1.418 118.959 120.400 -0.037 0.000 2.526 710 D HA 0.126 4.766 4.640 -0.000 0.000 0.293 710 D C 1.276 177.542 176.300 -0.057 0.000 1.081 710 D CA 0.541 54.512 54.000 -0.047 0.000 0.924 710 D CB -0.364 40.409 40.800 -0.046 0.000 1.498 710 D HN 0.692 nan 8.370 nan 0.000 0.497 711 G N 1.680 110.443 108.800 -0.061 0.000 2.491 711 G HA2 0.306 4.266 3.960 -0.000 0.000 0.242 711 G HA3 0.306 4.266 3.960 -0.000 0.000 0.242 711 G C 1.272 176.130 174.900 -0.070 0.000 1.266 711 G CA 0.129 45.186 45.100 -0.071 0.000 0.844 711 G HN 0.276 nan 8.290 nan 0.000 0.571 712 V N 1.254 121.124 119.914 -0.073 0.000 2.688 712 V HA -0.161 3.959 4.120 -0.000 0.000 0.256 712 V C 1.905 177.962 176.094 -0.061 0.000 1.084 712 V CA 1.964 64.228 62.300 -0.061 0.000 1.103 712 V CB -0.616 31.172 31.823 -0.057 0.000 0.688 712 V HN 0.778 nan 8.190 nan 0.000 0.480 713 N N 0.004 118.658 118.700 -0.076 0.000 2.551 713 N HA -0.075 4.665 4.740 -0.000 0.000 0.199 713 N C 0.526 175.992 175.510 -0.074 0.000 1.277 713 N CA 1.102 54.104 53.050 -0.080 0.000 0.870 713 N CB -0.167 38.260 38.487 -0.100 0.000 1.028 713 N HN 0.631 nan 8.380 nan 0.000 0.452 714 D N -0.458 119.903 120.400 -0.065 0.000 2.473 714 D HA 0.065 4.705 4.640 -0.000 0.000 0.230 714 D C 1.446 177.712 176.300 -0.057 0.000 1.097 714 D CA 0.187 54.150 54.000 -0.062 0.000 0.861 714 D CB 0.128 40.895 40.800 -0.056 0.000 1.114 714 D HN 0.108 nan 8.370 nan 0.000 0.500 715 S N 2.171 117.839 115.700 -0.052 0.000 2.389 715 S HA -0.172 4.298 4.470 -0.000 0.000 0.229 715 S C -0.828 173.742 174.600 -0.050 0.000 1.048 715 S CA 1.379 59.551 58.200 -0.048 0.000 1.117 715 S CB -1.645 61.531 63.200 -0.040 0.000 1.020 715 S HN 0.226 nan 8.310 nan 0.000 0.430 716 P HA 0.010 nan 4.420 nan 0.000 0.221 716 P C 1.179 178.444 177.300 -0.058 0.000 1.145 716 P CA 1.469 64.538 63.100 -0.052 0.000 0.795 716 P CB -0.152 31.516 31.700 -0.053 0.000 0.775 717 A N -0.447 122.335 122.820 -0.063 0.000 1.943 717 A HA -0.045 4.275 4.320 -0.000 0.000 0.213 717 A C 2.209 179.756 177.584 -0.062 0.000 1.181 717 A CA 1.447 53.443 52.037 -0.069 0.000 0.653 717 A CB -1.094 17.861 19.000 -0.076 0.000 0.833 717 A HN 0.278 nan 8.150 nan 0.000 0.451 718 S N -0.413 115.253 115.700 -0.056 0.000 2.461 718 S HA 0.015 4.485 4.470 -0.000 0.000 0.228 718 S C 1.770 176.338 174.600 -0.053 0.000 1.005 718 S CA 1.019 59.187 58.200 -0.054 0.000 0.942 718 S CB -0.056 63.113 63.200 -0.051 0.000 0.776 718 S HN 0.468 nan 8.310 nan 0.000 0.514 719 K N 1.397 121.766 120.400 -0.052 0.000 2.262 719 K HA 0.141 4.461 4.320 -0.000 0.000 0.200 719 K C 1.751 178.320 176.600 -0.051 0.000 1.049 719 K CA 0.679 56.936 56.287 -0.050 0.000 0.979 719 K CB -0.010 32.462 32.500 -0.046 0.000 0.773 719 K HN 0.242 nan 8.250 nan 0.000 0.474 720 K N 0.846 121.214 120.400 -0.053 0.000 2.426 720 K HA 0.140 4.460 4.320 -0.000 0.000 0.193 720 K C -0.111 176.456 176.600 -0.055 0.000 1.028 720 K CA 0.094 56.349 56.287 -0.053 0.000 1.047 720 K CB 0.175 32.642 32.500 -0.056 0.000 0.821 720 K HN 0.109 nan 8.250 nan 0.000 0.513 721 A N 1.051 123.838 122.820 -0.055 0.000 2.363 721 A HA 0.153 4.473 4.320 -0.000 0.000 0.270 721 A C 0.345 177.897 177.584 -0.054 0.000 1.121 721 A CA -0.369 51.635 52.037 -0.055 0.000 0.800 721 A CB 0.273 19.239 19.000 -0.056 0.000 1.052 721 A HN 0.348 nan 8.150 nan 0.000 0.493 722 D N 0.470 120.839 120.400 -0.052 0.000 2.192 722 D HA -0.180 4.460 4.640 -0.000 0.000 0.189 722 D C 0.635 176.903 176.300 -0.053 0.000 1.007 722 D CA 2.147 56.117 54.000 -0.051 0.000 0.859 722 D CB 0.030 40.800 40.800 -0.049 0.000 0.936 722 D HN 0.582 nan 8.370 nan 0.000 0.447 723 I N -0.264 120.273 120.570 -0.055 0.000 2.534 723 I HA 0.449 4.619 4.170 -0.000 0.000 0.288 723 I C -0.502 175.579 176.117 -0.061 0.000 1.077 723 I CA -0.608 60.657 61.300 -0.059 0.000 1.051 723 I CB 1.975 39.938 38.000 -0.061 0.000 1.234 723 I HN -0.086 nan 8.210 nan 0.000 0.425 724 G N 5.990 114.754 108.800 -0.061 0.000 2.437 724 G HA2 0.651 4.611 3.960 -0.000 0.000 0.319 724 G HA3 0.651 4.611 3.960 -0.000 0.000 0.319 724 G C -1.431 173.429 174.900 -0.066 0.000 1.158 724 G CA -0.455 44.609 45.100 -0.060 0.000 0.899 724 G HN 0.457 nan 8.290 nan 0.000 0.502 725 V N 0.157 120.033 119.914 -0.065 0.000 2.711 725 V HA 0.688 4.808 4.120 -0.000 0.000 0.304 725 V C 0.156 176.216 176.094 -0.057 0.000 1.097 725 V CA -0.676 61.581 62.300 -0.072 0.000 0.906 725 V CB 1.296 33.059 31.823 -0.099 0.000 1.015 725 V HN 1.215 nan 8.190 nan 0.000 0.427 726 A N 5.711 128.494 122.820 -0.063 0.000 2.299 726 A HA 0.967 5.286 4.320 -0.000 0.000 0.332 726 A C -0.439 177.112 177.584 -0.056 0.000 1.131 726 A CA -0.797 51.205 52.037 -0.058 0.000 0.844 726 A CB 1.270 20.226 19.000 -0.073 0.000 1.251 726 A HN 0.682 nan 8.150 nan 0.000 0.486 727 M N 2.301 121.870 119.600 -0.052 0.000 2.077 727 M HA 0.224 4.704 4.480 -0.000 0.000 0.348 727 M C 1.401 177.637 176.300 -0.107 0.000 1.252 727 M CA -0.324 54.944 55.300 -0.054 0.000 1.096 727 M CB -0.091 32.489 32.600 -0.034 0.000 1.568 727 M HN 0.942 nan 8.290 nan 0.000 0.456 728 G N 4.326 113.042 108.800 -0.141 0.000 2.545 728 G HA2 -0.154 3.806 3.960 -0.000 0.000 0.217 728 G HA3 -0.154 3.806 3.960 -0.000 0.000 0.217 728 G C 1.365 176.105 174.900 -0.266 0.000 1.218 728 G CA 0.799 45.748 45.100 -0.253 0.000 0.787 728 G HN 0.688 nan 8.290 nan 0.000 0.571 729 I N 1.135 121.597 120.570 -0.179 0.000 2.130 729 I HA -0.041 4.129 4.170 -0.000 0.000 0.234 729 I C 3.207 179.267 176.117 -0.096 0.000 1.067 729 I CA 1.234 62.456 61.300 -0.130 0.000 1.339 729 I CB -0.487 37.472 38.000 -0.069 0.000 1.073 729 I HN 0.225 nan 8.210 nan 0.000 0.405 730 A N 0.963 123.739 122.820 -0.073 0.000 2.119 730 A HA 0.165 4.485 4.320 -0.000 0.000 0.216 730 A C 1.554 179.099 177.584 -0.066 0.000 1.152 730 A CA 0.735 52.737 52.037 -0.059 0.000 0.708 730 A CB -1.218 17.753 19.000 -0.048 0.000 0.805 730 A HN 0.440 nan 8.150 nan 0.000 0.460 731 G N 0.753 109.506 108.800 -0.080 0.000 2.432 731 G HA2 0.381 4.341 3.960 -0.000 0.000 0.239 731 G HA3 0.381 4.341 3.960 -0.000 0.000 0.239 731 G C 0.443 175.297 174.900 -0.077 0.000 1.291 731 G CA 0.377 45.431 45.100 -0.078 0.000 0.863 731 G HN 0.572 nan 8.290 nan 0.000 0.560 732 S N 1.214 116.874 115.700 -0.067 0.000 2.608 732 S HA 0.117 4.587 4.470 -0.000 0.000 0.261 732 S C 1.012 175.580 174.600 -0.053 0.000 1.314 732 S CA 0.093 58.257 58.200 -0.060 0.000 0.992 732 S CB 1.397 64.560 63.200 -0.063 0.000 0.935 732 S HN 0.644 nan 8.310 nan 0.000 0.564 733 D N 0.373 120.751 120.400 -0.037 0.000 2.095 733 D HA -0.141 4.499 4.640 -0.000 0.000 0.192 733 D C 1.750 178.033 176.300 -0.028 0.000 0.990 733 D CA 1.490 55.475 54.000 -0.026 0.000 0.836 733 D CB -0.626 40.171 40.800 -0.005 0.000 0.979 733 D HN 0.313 nan 8.370 nan 0.000 0.447 734 V N 0.645 120.548 119.914 -0.019 0.000 2.568 734 V HA -0.229 3.890 4.120 -0.000 0.000 0.253 734 V C 2.472 178.547 176.094 -0.031 0.000 1.072 734 V CA 1.890 64.180 62.300 -0.018 0.000 1.084 734 V CB -0.724 31.096 31.823 -0.004 0.000 0.676 734 V HN 0.309 nan 8.190 nan 0.000 0.469 735 S N -0.149 115.526 115.700 -0.041 0.000 2.371 735 S HA -0.188 4.282 4.470 -0.000 0.000 0.224 735 S C 1.923 176.492 174.600 -0.052 0.000 1.029 735 S CA 1.009 59.180 58.200 -0.048 0.000 0.978 735 S CB -0.361 62.807 63.200 -0.053 0.000 0.833 735 S HN 0.562 nan 8.310 nan 0.000 0.466 736 K N 0.759 121.125 120.400 -0.057 0.000 2.074 736 K HA -0.117 4.203 4.320 -0.000 0.000 0.209 736 K C 2.627 179.195 176.600 -0.053 0.000 1.048 736 K CA 1.521 57.769 56.287 -0.065 0.000 0.926 736 K CB -0.160 32.297 32.500 -0.073 0.000 0.713 736 K HN 0.332 nan 8.250 nan 0.000 0.444 737 Q N -0.119 119.656 119.800 -0.042 0.000 1.990 737 Q HA -0.084 4.256 4.340 -0.000 0.000 0.200 737 Q C 2.106 178.082 176.000 -0.041 0.000 0.980 737 Q CA 1.658 57.439 55.803 -0.037 0.000 0.832 737 Q CB -0.473 28.249 28.738 -0.027 0.000 0.897 737 Q HN 0.315 nan 8.270 nan 0.000 0.427 738 A N 0.694 123.490 122.820 -0.040 0.000 2.248 738 A HA 0.219 4.539 4.320 -0.000 0.000 0.210 738 A C 1.005 178.560 177.584 -0.048 0.000 1.174 738 A CA 0.738 52.749 52.037 -0.042 0.000 0.750 738 A CB -0.427 18.549 19.000 -0.041 0.000 0.780 738 A HN 0.266 nan 8.150 nan 0.000 0.478 739 A N -0.529 122.260 122.820 -0.052 0.000 2.302 739 A HA 0.496 4.816 4.320 -0.000 0.000 0.285 739 A C 0.321 177.870 177.584 -0.059 0.000 1.105 739 A CA -0.259 51.745 52.037 -0.057 0.000 0.816 739 A CB 0.429 19.393 19.000 -0.061 0.000 1.067 739 A HN 0.226 nan 8.150 nan 0.000 0.489 740 D N 0.261 120.624 120.400 -0.061 0.000 2.366 740 D HA 0.171 4.811 4.640 -0.000 0.000 0.205 740 D C 0.017 176.277 176.300 -0.066 0.000 1.022 740 D CA 0.961 54.924 54.000 -0.062 0.000 0.868 740 D CB 0.302 41.066 40.800 -0.060 0.000 0.953 740 D HN 0.503 nan 8.370 nan 0.000 0.514 741 M N 0.654 120.212 119.600 -0.070 0.000 2.501 741 M HA 0.332 4.812 4.480 -0.000 0.000 0.293 741 M C -1.799 174.454 176.300 -0.078 0.000 1.192 741 M CA -0.704 54.551 55.300 -0.074 0.000 0.886 741 M CB 3.167 35.718 32.600 -0.081 0.000 1.710 741 M HN -0.351 nan 8.290 nan 0.000 0.457 742 I N 4.639 125.162 120.570 -0.079 0.000 2.439 742 I HA 0.353 4.523 4.170 -0.000 0.000 0.283 742 I C -0.712 175.353 176.117 -0.087 0.000 1.023 742 I CA -0.469 60.777 61.300 -0.090 0.000 1.100 742 I CB 1.329 39.273 38.000 -0.094 0.000 1.238 742 I HN 0.636 nan 8.210 nan 0.000 0.445 743 L N 6.312 127.483 121.223 -0.088 0.000 2.315 743 L HA 0.301 4.641 4.340 -0.000 0.000 0.283 743 L C 1.292 178.110 176.870 -0.087 0.000 1.089 743 L CA -0.258 54.538 54.840 -0.074 0.000 0.833 743 L CB 0.950 42.976 42.059 -0.054 0.000 1.170 743 L HN 0.553 nan 8.230 nan 0.000 0.442 744 L N 2.306 123.488 121.223 -0.067 0.000 2.341 744 L HA -0.058 4.282 4.340 -0.000 0.000 0.214 744 L C 1.274 178.116 176.870 -0.046 0.000 1.115 744 L CA 0.552 55.349 54.840 -0.071 0.000 0.820 744 L CB -0.196 41.868 42.059 0.009 0.000 0.944 744 L HN 0.759 nan 8.230 nan 0.000 0.452 745 D N -3.575 116.809 120.400 -0.026 0.000 2.500 745 D HA -0.018 4.621 4.640 -0.000 0.000 0.217 745 D C 0.235 176.531 176.300 -0.007 0.000 1.159 745 D CA -0.012 53.981 54.000 -0.010 0.000 0.828 745 D CB 0.242 41.044 40.800 0.002 0.000 1.039 745 D HN -0.045 nan 8.370 nan 0.000 0.512 746 D N 0.289 120.684 120.400 -0.007 0.000 3.028 746 D HA -0.220 4.420 4.640 -0.000 0.000 0.207 746 D C -0.186 176.159 176.300 0.075 0.000 1.100 746 D CA 0.621 54.637 54.000 0.026 0.000 0.995 746 D CB -2.302 38.505 40.800 0.012 0.000 1.108 746 D HN 0.591 nan 8.370 nan 0.000 0.421 747 N N 0.103 118.832 118.700 0.049 0.000 2.399 747 N HA -0.023 4.717 4.740 -0.000 0.000 0.284 747 N C 1.195 176.767 175.510 0.104 0.000 1.283 747 N CA -0.186 52.905 53.050 0.067 0.000 0.972 747 N CB -0.064 38.440 38.487 0.027 0.000 1.328 747 N HN -0.028 nan 8.380 nan 0.000 0.486 748 F N 3.590 123.520 119.950 -0.034 0.000 2.120 748 F HA -0.229 4.298 4.527 -0.000 0.000 0.300 748 F C 2.424 178.205 175.800 -0.030 0.000 1.095 748 F CA 1.636 59.616 58.000 -0.033 0.000 1.249 748 F CB -0.454 38.527 39.000 -0.032 0.000 0.995 748 F HN 0.656 nan 8.300 nan 0.000 0.480 749 A N -1.315 121.581 122.820 0.126 0.000 2.148 749 A HA -0.231 4.089 4.320 -0.000 0.000 0.222 749 A C 2.379 179.949 177.584 -0.024 0.000 1.161 749 A CA 1.924 53.988 52.037 0.044 0.000 0.662 749 A CB -1.090 17.935 19.000 0.042 0.000 0.799 749 A HN 0.371 nan 8.150 nan 0.000 0.466 750 S N -0.419 115.254 115.700 -0.046 0.000 2.419 750 S HA -0.107 4.363 4.470 -0.000 0.000 0.233 750 S C 1.763 176.294 174.600 -0.115 0.000 1.016 750 S CA 1.129 59.286 58.200 -0.072 0.000 0.974 750 S CB -0.370 62.788 63.200 -0.070 0.000 0.786 750 S HN 0.506 nan 8.310 nan 0.000 0.492 751 I N 1.407 121.863 120.570 -0.190 0.000 2.118 751 I HA -0.145 4.025 4.170 -0.000 0.000 0.241 751 I C 2.345 178.371 176.117 -0.151 0.000 1.070 751 I CA 1.033 62.186 61.300 -0.245 0.000 1.327 751 I CB -1.777 35.952 38.000 -0.452 0.000 1.034 751 I HN 0.126 nan 8.210 nan 0.000 0.405 752 V N 0.584 120.432 119.914 -0.110 0.000 2.231 752 V HA -0.337 3.783 4.120 -0.000 0.000 0.248 752 V C 2.532 178.590 176.094 -0.060 0.000 1.054 752 V CA 2.575 64.836 62.300 -0.065 0.000 1.015 752 V CB -1.391 30.412 31.823 -0.033 0.000 0.638 752 V HN 0.425 nan 8.190 nan 0.000 0.444 753 T N 0.225 114.745 114.554 -0.056 0.000 2.760 753 T HA -0.198 4.152 4.350 -0.000 0.000 0.269 753 T C 1.781 176.446 174.700 -0.059 0.000 1.047 753 T CA 1.655 63.724 62.100 -0.051 0.000 1.139 753 T CB -0.671 68.169 68.868 -0.047 0.000 0.855 753 T HN 0.691 nan 8.240 nan 0.000 0.471 754 G N 0.527 109.282 108.800 -0.076 0.000 2.414 754 G HA2 -0.152 3.808 3.960 -0.000 0.000 0.215 754 G HA3 -0.152 3.808 3.960 -0.000 0.000 0.215 754 G C 1.734 176.592 174.900 -0.069 0.000 1.188 754 G CA 0.840 45.892 45.100 -0.079 0.000 0.783 754 G HN 0.469 nan 8.290 nan 0.000 0.537 755 V N 0.480 120.349 119.914 -0.074 0.000 2.427 755 V HA -0.106 4.014 4.120 -0.000 0.000 0.248 755 V C 2.394 178.458 176.094 -0.050 0.000 1.051 755 V CA 2.821 65.082 62.300 -0.065 0.000 1.048 755 V CB -0.188 31.594 31.823 -0.069 0.000 0.666 755 V HN 0.591 nan 8.190 nan 0.000 0.456 756 E N -0.305 119.868 120.200 -0.045 0.000 2.012 756 E HA -0.264 4.086 4.350 -0.000 0.000 0.197 756 E C 2.249 178.832 176.600 -0.028 0.000 1.007 756 E CA 1.905 58.284 56.400 -0.034 0.000 0.816 756 E CB -0.236 29.445 29.700 -0.032 0.000 0.762 756 E HN 0.689 nan 8.360 nan 0.000 0.451 757 E N -0.238 119.941 120.200 -0.035 0.000 2.097 757 E HA -0.197 4.153 4.350 -0.000 0.000 0.196 757 E C 2.086 178.677 176.600 -0.016 0.000 1.000 757 E CA 1.171 57.551 56.400 -0.033 0.000 0.804 757 E CB -0.631 29.041 29.700 -0.046 0.000 0.740 757 E HN 0.492 nan 8.360 nan 0.000 0.454 758 G N 1.252 110.041 108.800 -0.019 0.000 2.440 758 G HA2 -0.297 3.663 3.960 -0.000 0.000 0.218 758 G HA3 -0.297 3.663 3.960 -0.000 0.000 0.218 758 G C 1.730 176.648 174.900 0.031 0.000 1.154 758 G CA 0.796 45.895 45.100 -0.001 0.000 0.767 758 G HN 0.206 nan 8.290 nan 0.000 0.552 759 R N -0.805 119.697 120.500 0.002 0.000 2.115 759 R HA 0.128 4.468 4.340 -0.000 0.000 0.226 759 R C 2.420 178.768 176.300 0.081 0.000 1.100 759 R CA 0.627 56.734 56.100 0.012 0.000 0.980 759 R CB -0.362 29.917 30.300 -0.036 0.000 0.875 759 R HN 0.352 nan 8.270 nan 0.000 0.445 760 L N 1.097 122.347 121.223 0.045 0.000 2.005 760 L HA -0.084 4.256 4.340 -0.000 0.000 0.207 760 L C 1.995 178.899 176.870 0.056 0.000 1.072 760 L CA 1.560 56.424 54.840 0.040 0.000 0.744 760 L CB -0.370 41.690 42.059 0.002 0.000 0.895 760 L HN 0.148 nan 8.230 nan 0.000 0.433 761 I N -1.280 119.319 120.570 0.048 0.000 2.567 761 I HA -0.292 3.877 4.170 -0.000 0.000 0.257 761 I C 2.262 178.417 176.117 0.064 0.000 1.184 761 I CA 0.964 62.286 61.300 0.035 0.000 1.451 761 I CB -0.086 37.925 38.000 0.018 0.000 1.089 761 I HN 0.392 nan 8.210 nan 0.000 0.441 762 F N 2.013 121.948 119.950 -0.026 0.000 2.031 762 F HA -0.294 4.233 4.527 -0.000 0.000 0.295 762 F C 2.043 177.833 175.800 -0.018 0.000 1.133 762 F CA 2.232 60.219 58.000 -0.021 0.000 1.188 762 F CB -0.470 38.517 39.000 -0.021 0.000 0.974 762 F HN 0.088 nan 8.300 nan 0.000 0.473 763 D N 0.384 120.887 120.400 0.171 0.000 2.106 763 D HA -0.214 4.425 4.640 -0.000 0.000 0.191 763 D C 1.873 178.126 176.300 -0.079 0.000 0.997 763 D CA 1.637 55.653 54.000 0.027 0.000 0.834 763 D CB -0.706 40.143 40.800 0.082 0.000 0.956 763 D HN 0.242 nan 8.370 nan 0.000 0.448 764 N N 0.073 118.750 118.700 -0.038 0.000 2.348 764 N HA -0.105 4.635 4.740 -0.000 0.000 0.185 764 N C 1.840 177.313 175.510 -0.061 0.000 1.019 764 N CA 0.223 53.249 53.050 -0.041 0.000 0.880 764 N CB -0.257 38.225 38.487 -0.008 0.000 0.965 764 N HN 0.272 nan 8.380 nan 0.000 0.437 765 L N 0.726 121.883 121.223 -0.111 0.000 2.027 765 L HA -0.135 4.205 4.340 -0.000 0.000 0.206 765 L C 2.159 178.945 176.870 -0.139 0.000 1.074 765 L CA 1.155 55.914 54.840 -0.135 0.000 0.745 765 L CB -0.203 41.733 42.059 -0.204 0.000 0.898 765 L HN 0.146 nan 8.230 nan 0.000 0.433 766 K N 0.303 120.584 120.400 -0.199 0.000 2.000 766 K HA -0.263 4.057 4.320 -0.000 0.000 0.218 766 K C 2.033 178.634 176.600 0.001 0.000 1.053 766 K CA 1.871 58.095 56.287 -0.106 0.000 0.946 766 K CB -0.222 32.211 32.500 -0.113 0.000 0.723 766 K HN 0.240 nan 8.250 nan 0.000 0.446 767 K N 0.383 120.763 120.400 -0.033 0.000 2.173 767 K HA -0.156 4.164 4.320 -0.000 0.000 0.207 767 K C 2.310 178.952 176.600 0.070 0.000 1.046 767 K CA 1.559 57.844 56.287 -0.002 0.000 0.929 767 K CB -0.139 32.324 32.500 -0.062 0.000 0.720 767 K HN 0.040 nan 8.250 nan 0.000 0.453 768 S N 0.532 116.254 115.700 0.036 0.000 2.395 768 S HA 0.013 4.483 4.470 -0.000 0.000 0.225 768 S C 1.860 176.526 174.600 0.110 0.000 1.027 768 S CA 0.494 58.732 58.200 0.064 0.000 0.965 768 S CB 0.005 63.212 63.200 0.012 0.000 0.812 768 S HN 0.151 nan 8.310 nan 0.000 0.482 769 I N 2.273 122.881 120.570 0.063 0.000 2.208 769 I HA -0.182 3.988 4.170 -0.000 0.000 0.245 769 I C 2.660 178.867 176.117 0.150 0.000 1.097 769 I CA 1.294 62.642 61.300 0.079 0.000 1.363 769 I CB -1.855 36.170 38.000 0.040 0.000 1.051 769 I HN 0.202 nan 8.210 nan 0.000 0.413 770 A N 0.897 123.824 122.820 0.178 0.000 1.842 770 A HA -0.324 3.996 4.320 -0.000 0.000 0.217 770 A C 2.390 180.094 177.584 0.202 0.000 1.206 770 A CA 2.061 54.228 52.037 0.217 0.000 0.630 770 A CB -1.587 17.633 19.000 0.368 0.000 0.839 770 A HN 0.453 nan 8.150 nan 0.000 0.447 771 Y N 1.007 121.366 120.300 0.098 0.000 2.029 771 Y HA -0.330 4.220 4.550 -0.000 0.000 0.269 771 Y C 2.753 178.684 175.900 0.051 0.000 1.201 771 Y CA 2.872 61.012 58.100 0.067 0.000 1.115 771 Y CB -0.931 37.555 38.460 0.045 0.000 0.945 771 Y HN 0.345 nan 8.280 nan 0.000 0.497 772 T N 1.120 115.796 114.554 0.203 0.000 2.652 772 T HA -0.213 4.137 4.350 -0.000 0.000 0.267 772 T C 1.998 176.709 174.700 0.017 0.000 1.039 772 T CA 1.917 64.072 62.100 0.092 0.000 1.153 772 T CB -0.627 68.320 68.868 0.132 0.000 0.863 772 T HN 0.345 nan 8.240 nan 0.000 0.428 773 L N 0.770 122.051 121.223 0.098 0.000 2.201 773 L HA -0.097 4.242 4.340 -0.000 0.000 0.212 773 L C 2.831 179.757 176.870 0.093 0.000 1.105 773 L CA 1.016 55.955 54.840 0.166 0.000 0.775 773 L CB -0.915 41.320 42.059 0.293 0.000 0.913 773 L HN 0.329 nan 8.230 nan 0.000 0.440 774 T N -0.886 113.680 114.554 0.020 0.000 2.788 774 T HA -0.193 4.157 4.350 -0.000 0.000 0.268 774 T C 2.079 176.683 174.700 -0.161 0.000 1.044 774 T CA 1.630 63.695 62.100 -0.058 0.000 1.139 774 T CB -0.270 68.554 68.868 -0.074 0.000 0.867 774 T HN 0.546 nan 8.240 nan 0.000 0.454 775 S N 1.777 117.351 115.700 -0.209 0.000 2.465 775 S HA -0.152 4.318 4.470 -0.000 0.000 0.241 775 S C 1.913 176.402 174.600 -0.185 0.000 1.000 775 S CA 1.095 59.158 58.200 -0.229 0.000 0.964 775 S CB -0.477 62.577 63.200 -0.244 0.000 0.763 775 S HN 0.309 nan 8.310 nan 0.000 0.512 776 N N 1.563 120.157 118.700 -0.175 0.000 2.135 776 N HA 0.105 4.845 4.740 -0.000 0.000 0.186 776 N C 1.564 176.905 175.510 -0.281 0.000 1.027 776 N CA 1.113 54.040 53.050 -0.205 0.000 0.849 776 N CB -0.447 37.939 38.487 -0.169 0.000 1.002 776 N HN 0.288 nan 8.380 nan 0.000 0.425 777 I N 1.749 122.098 120.570 -0.369 0.000 2.208 777 I HA -0.171 3.999 4.170 -0.000 0.000 0.245 777 I C -1.042 174.961 176.117 -0.190 0.000 1.097 777 I CA 1.295 62.395 61.300 -0.333 0.000 1.363 777 I CB -2.060 35.747 38.000 -0.322 0.000 1.051 777 I HN 0.154 nan 8.210 nan 0.000 0.413 778 P HA -0.034 nan 4.420 nan 0.000 0.249 778 P C 0.928 178.192 177.300 -0.060 0.000 1.241 778 P CA 0.900 63.936 63.100 -0.107 0.000 0.781 778 P CB -0.024 31.579 31.700 -0.161 0.000 1.088 779 E N -0.681 119.443 120.200 -0.125 0.000 2.340 779 E HA 0.087 4.437 4.350 -0.000 0.000 0.198 779 E C 1.837 178.335 176.600 -0.171 0.000 0.961 779 E CA 0.272 56.585 56.400 -0.146 0.000 0.905 779 E CB -0.013 29.596 29.700 -0.152 0.000 0.884 779 E HN 0.259 nan 8.360 nan 0.000 0.491 780 I N 1.117 121.590 120.570 -0.162 0.000 2.368 780 I HA -0.170 4.000 4.170 -0.000 0.000 0.238 780 I C 2.638 178.697 176.117 -0.095 0.000 1.076 780 I CA 1.313 62.520 61.300 -0.155 0.000 1.397 780 I CB -0.972 36.914 38.000 -0.190 0.000 1.141 780 I HN 0.057 nan 8.210 nan 0.000 0.430 781 T N -0.039 114.477 114.554 -0.064 0.000 2.684 781 T HA -0.183 4.167 4.350 -0.000 0.000 0.267 781 T C -0.546 174.232 174.700 0.131 0.000 1.032 781 T CA 1.523 63.651 62.100 0.046 0.000 1.155 781 T CB -2.460 66.500 68.868 0.154 0.000 0.857 781 T HN 0.195 nan 8.240 nan 0.000 0.457 782 P HA 0.005 nan 4.420 nan 0.000 0.222 782 P C 0.926 178.219 177.300 -0.012 0.000 1.142 782 P CA 0.768 63.842 63.100 -0.044 0.000 0.788 782 P CB -0.259 31.150 31.700 -0.484 0.000 0.767 783 F N -1.605 118.241 119.950 -0.174 0.000 2.720 783 F HA 0.219 4.746 4.527 -0.000 0.000 0.301 783 F C 1.668 177.398 175.800 -0.116 0.000 1.103 783 F CA 0.229 58.113 58.000 -0.195 0.000 1.291 783 F CB -0.017 38.827 39.000 -0.259 0.000 1.086 783 F HN -0.266 nan 8.300 nan 0.000 0.592 784 L N -0.028 121.177 121.223 -0.030 0.000 2.115 784 L HA -0.054 4.286 4.340 -0.000 0.000 0.200 784 L C 2.383 179.268 176.870 0.024 0.000 1.094 784 L CA 1.262 56.066 54.840 -0.060 0.000 0.769 784 L CB -0.845 41.143 42.059 -0.119 0.000 0.931 784 L HN 0.057 nan 8.230 nan 0.000 0.455 785 I N -2.367 118.221 120.570 0.030 0.000 2.423 785 I HA -0.302 3.867 4.170 -0.000 0.000 0.254 785 I C 2.570 178.636 176.117 -0.086 0.000 1.151 785 I CA 1.339 62.618 61.300 -0.036 0.000 1.421 785 I CB -0.814 37.116 38.000 -0.116 0.000 1.079 785 I HN 0.120 nan 8.210 nan 0.000 0.431 786 F N 2.661 122.475 119.950 -0.226 0.000 2.184 786 F HA -0.215 4.312 4.527 -0.000 0.000 0.301 786 F C 1.935 177.577 175.800 -0.263 0.000 1.076 786 F CA 1.806 59.642 58.000 -0.273 0.000 1.295 786 F CB -0.219 38.548 39.000 -0.388 0.000 1.026 786 F HN 0.022 nan 8.300 nan 0.000 0.494 787 I N -0.630 119.696 120.570 -0.406 0.000 3.645 787 I HA -0.097 4.072 4.170 -0.000 0.000 0.300 787 I C 1.609 177.596 176.117 -0.217 0.000 1.260 787 I CA -0.020 61.001 61.300 -0.465 0.000 1.365 787 I CB -0.108 37.542 38.000 -0.583 0.000 1.077 787 I HN 0.100 nan 8.210 nan 0.000 0.439 788 I N 1.132 121.606 120.570 -0.160 0.000 2.628 788 I HA 0.077 4.247 4.170 -0.000 0.000 0.255 788 I C 2.236 178.291 176.117 -0.103 0.000 1.119 788 I CA 1.009 62.249 61.300 -0.100 0.000 1.448 788 I CB -0.960 36.997 38.000 -0.071 0.000 1.133 788 I HN 0.093 nan 8.210 nan 0.000 0.438 789 A N -0.023 122.720 122.820 -0.128 0.000 2.431 789 A HA 0.187 4.507 4.320 -0.000 0.000 0.239 789 A C 0.421 177.927 177.584 -0.129 0.000 1.230 789 A CA -0.178 51.795 52.037 -0.107 0.000 0.928 789 A CB -0.305 18.642 19.000 -0.088 0.000 1.006 789 A HN 0.434 nan 8.150 nan 0.000 0.520 790 N N 0.338 118.911 118.700 -0.212 0.000 2.696 790 N HA -0.165 4.575 4.740 -0.000 0.000 0.256 790 N C -0.256 175.133 175.510 -0.202 0.000 1.031 790 N CA 1.503 54.395 53.050 -0.263 0.000 0.730 790 N CB -1.427 36.966 38.487 -0.157 0.000 0.894 790 N HN 0.879 nan 8.380 nan 0.000 0.544 791 I N -3.476 116.970 120.570 -0.207 0.000 2.797 791 I HA 0.704 4.874 4.170 -0.000 0.000 0.307 791 I C -2.380 173.684 176.117 -0.088 0.000 1.033 791 I CA -2.488 58.735 61.300 -0.127 0.000 1.071 791 I CB 2.031 40.000 38.000 -0.051 0.000 1.255 791 I HN -0.261 nan 8.210 nan 0.000 0.445 792 P HA -0.022 nan 4.420 nan 0.000 0.269 792 P C -0.559 176.759 177.300 0.030 0.000 1.211 792 P CA -0.267 62.620 63.100 -0.354 0.000 0.781 792 P CB 0.315 31.285 31.700 -1.217 0.000 0.877 793 L N 4.754 126.023 121.223 0.077 0.000 2.515 793 L HA 0.166 4.506 4.340 -0.000 0.000 0.281 793 L C -1.801 175.123 176.870 0.089 0.000 1.131 793 L CA -1.410 53.424 54.840 -0.010 0.000 0.905 793 L CB -0.285 41.707 42.059 -0.112 0.000 1.246 793 L HN 0.283 nan 8.230 nan 0.000 0.463 794 P HA -0.118 nan 4.420 nan 0.000 0.215 794 P C -0.402 176.728 177.300 -0.284 0.000 1.157 794 P CA 0.994 63.998 63.100 -0.161 0.000 0.868 794 P CB 0.146 31.392 31.700 -0.757 0.000 0.788 795 L N -0.892 119.966 121.223 -0.609 0.000 2.349 795 L HA 0.672 5.011 4.340 -0.000 0.000 0.278 795 L C 0.204 176.549 176.870 -0.876 0.000 0.996 795 L CA -0.753 53.588 54.840 -0.831 0.000 0.825 795 L CB 1.289 42.791 42.059 -0.929 0.000 1.243 795 L HN -0.114 nan 8.230 nan 0.000 0.412 796 G N 2.111 109.957 108.800 -1.590 0.000 2.528 796 G HA2 0.394 4.353 3.960 -0.000 0.000 0.289 796 G HA3 0.394 4.353 3.960 -0.000 0.000 0.289 796 G C 0.392 175.044 174.900 -0.414 0.000 1.192 796 G CA 0.160 44.734 45.100 -0.877 0.000 0.921 796 G HN 0.671 nan 8.290 nan 0.000 0.512 797 T N 0.369 114.779 114.554 -0.240 0.000 2.698 797 T HA -0.144 4.206 4.350 -0.000 0.000 0.260 797 T C 2.637 177.246 174.700 -0.152 0.000 1.044 797 T CA 1.195 63.172 62.100 -0.206 0.000 1.149 797 T CB -0.376 68.387 68.868 -0.176 0.000 0.864 797 T HN 0.143 nan 8.240 nan 0.000 0.419 798 V N 2.149 121.989 119.914 -0.124 0.000 2.511 798 V HA -0.263 3.857 4.120 -0.000 0.000 0.257 798 V C 2.632 178.667 176.094 -0.098 0.000 1.088 798 V CA 2.190 64.430 62.300 -0.099 0.000 1.098 798 V CB -1.269 30.483 31.823 -0.118 0.000 0.674 798 V HN 0.638 nan 8.190 nan 0.000 0.470 799 T N -0.133 114.349 114.554 -0.119 0.000 2.668 799 T HA -0.096 4.254 4.350 -0.000 0.000 0.262 799 T C 1.828 176.547 174.700 0.032 0.000 1.045 799 T CA 1.700 63.769 62.100 -0.051 0.000 1.152 799 T CB -0.271 68.544 68.868 -0.088 0.000 0.864 799 T HN 0.343 nan 8.240 nan 0.000 0.419 800 I N 1.224 121.760 120.570 -0.058 0.000 2.143 800 I HA -0.209 3.961 4.170 -0.000 0.000 0.245 800 I C 2.229 178.335 176.117 -0.018 0.000 1.068 800 I CA 1.471 62.738 61.300 -0.056 0.000 1.326 800 I CB -0.506 37.418 38.000 -0.127 0.000 1.028 800 I HN 0.223 nan 8.210 nan 0.000 0.412 801 L N -0.334 120.872 121.223 -0.029 0.000 2.450 801 L HA -0.204 4.136 4.340 -0.000 0.000 0.224 801 L C 1.878 178.767 176.870 0.033 0.000 1.149 801 L CA 0.547 55.379 54.840 -0.014 0.000 0.816 801 L CB -0.527 41.514 42.059 -0.030 0.000 0.932 801 L HN 0.433 nan 8.230 nan 0.000 0.449 802 C N -0.595 118.765 119.300 0.100 0.000 2.693 802 C HA 0.189 4.649 4.460 -0.000 0.000 0.286 802 C C 2.067 177.247 174.990 0.316 0.000 1.277 802 C CA -0.291 58.865 59.018 0.231 0.000 1.705 802 C CB -0.464 27.409 27.740 0.220 0.000 1.879 802 C HN 0.400 nan 8.230 nan 0.000 0.607 803 I N -0.232 120.411 120.570 0.122 0.000 3.623 803 I HA 0.061 4.231 4.170 -0.000 0.000 0.253 803 I C 1.819 177.937 176.117 0.001 0.000 1.144 803 I CA 0.834 62.134 61.300 -0.000 0.000 1.461 803 I CB -1.117 36.834 38.000 -0.081 0.000 1.575 803 I HN 0.141 nan 8.210 nan 0.000 0.445 804 D N 1.139 121.532 120.400 -0.011 0.000 2.271 804 D HA -0.150 4.490 4.640 -0.000 0.000 0.207 804 D C 1.418 177.719 176.300 0.002 0.000 0.983 804 D CA 1.468 55.461 54.000 -0.012 0.000 0.878 804 D CB 0.518 41.299 40.800 -0.032 0.000 0.920 804 D HN 0.230 nan 8.370 nan 0.000 0.479 805 L N -1.817 119.413 121.223 0.012 0.000 3.360 805 L HA 0.247 4.587 4.340 -0.000 0.000 0.303 805 L C 1.803 178.690 176.870 0.029 0.000 1.218 805 L CA 0.038 54.884 54.840 0.010 0.000 1.059 805 L CB 0.930 42.982 42.059 -0.011 0.000 1.468 805 L HN -0.113 nan 8.230 nan 0.000 0.614 806 G N -0.292 108.543 108.800 0.059 0.000 2.664 806 G HA2 -0.010 3.950 3.960 -0.000 0.000 0.216 806 G HA3 -0.010 3.950 3.960 -0.000 0.000 0.216 806 G C 1.417 176.364 174.900 0.079 0.000 1.243 806 G CA 1.167 46.323 45.100 0.093 0.000 0.859 806 G HN 0.278 nan 8.290 nan 0.000 0.574 807 T N -2.613 111.980 114.554 0.064 0.000 3.023 807 T HA 0.127 4.477 4.350 -0.000 0.000 0.249 807 T C 1.022 175.760 174.700 0.064 0.000 1.050 807 T CA 0.749 62.871 62.100 0.038 0.000 1.088 807 T CB 0.285 69.128 68.868 -0.042 0.000 0.946 807 T HN -0.010 nan 8.240 nan 0.000 0.480 808 D N 0.453 120.896 120.400 0.072 0.000 2.519 808 D HA 0.314 4.953 4.640 -0.000 0.000 0.238 808 D C 0.968 177.347 176.300 0.131 0.000 1.192 808 D CA 0.075 54.175 54.000 0.168 0.000 0.835 808 D CB 0.309 41.176 40.800 0.112 0.000 0.975 808 D HN 0.275 nan 8.370 nan 0.000 0.490 809 M N -0.937 118.705 119.600 0.071 0.000 2.838 809 M HA 0.044 4.524 4.480 -0.000 0.000 0.251 809 M C 1.888 178.198 176.300 0.017 0.000 1.393 809 M CA 0.409 55.732 55.300 0.037 0.000 1.196 809 M CB 0.073 32.687 32.600 0.022 0.000 1.276 809 M HN -0.111 nan 8.290 nan 0.000 0.541 810 V N 1.584 121.509 119.914 0.019 0.000 2.244 810 V HA -0.148 3.972 4.120 -0.000 0.000 0.244 810 V C -0.678 175.383 176.094 -0.054 0.000 1.042 810 V CA 1.984 64.291 62.300 0.011 0.000 1.006 810 V CB -2.013 29.829 31.823 0.032 0.000 0.641 810 V HN 0.183 nan 8.190 nan 0.000 0.446 811 P HA -0.237 nan 4.420 nan 0.000 0.215 811 P C 1.731 178.802 177.300 -0.381 0.000 1.163 811 P CA 2.432 65.357 63.100 -0.292 0.000 0.894 811 P CB -0.270 31.157 31.700 -0.455 0.000 0.791 812 A N -0.036 122.582 122.820 -0.336 0.000 1.852 812 A HA -0.259 4.061 4.320 -0.000 0.000 0.217 812 A C 2.186 179.703 177.584 -0.110 0.000 1.215 812 A CA 2.292 54.210 52.037 -0.198 0.000 0.641 812 A CB -1.825 17.168 19.000 -0.010 0.000 0.838 812 A HN 0.047 nan 8.150 nan 0.000 0.450 813 I N 0.972 121.507 120.570 -0.057 0.000 2.185 813 I HA -0.275 3.895 4.170 -0.000 0.000 0.246 813 I C 2.862 178.954 176.117 -0.042 0.000 1.088 813 I CA 2.268 63.560 61.300 -0.014 0.000 1.347 813 I CB -1.568 36.431 38.000 -0.001 0.000 1.041 813 I HN 0.600 nan 8.210 nan 0.000 0.415 814 S N 0.643 116.265 115.700 -0.129 0.000 2.440 814 S HA -0.165 4.305 4.470 -0.000 0.000 0.238 814 S C 1.943 176.480 174.600 -0.104 0.000 1.010 814 S CA 0.751 58.825 58.200 -0.211 0.000 0.972 814 S CB -0.513 62.576 63.200 -0.184 0.000 0.774 814 S HN 0.317 nan 8.310 nan 0.000 0.501 815 L N 1.545 122.727 121.223 -0.070 0.000 2.376 815 L HA 0.323 4.663 4.340 -0.000 0.000 0.219 815 L C 2.692 179.605 176.870 0.071 0.000 1.133 815 L CA 0.881 55.705 54.840 -0.027 0.000 0.816 815 L CB -1.286 40.731 42.059 -0.070 0.000 0.933 815 L HN 0.451 nan 8.230 nan 0.000 0.449 816 A N -1.296 121.621 122.820 0.162 0.000 1.986 816 A HA -0.232 4.088 4.320 -0.000 0.000 0.220 816 A C 1.393 179.115 177.584 0.230 0.000 1.171 816 A CA 1.528 53.692 52.037 0.213 0.000 0.640 816 A CB -0.794 18.385 19.000 0.298 0.000 0.811 816 A HN 0.460 nan 8.150 nan 0.000 0.451 817 Y N 0.751 121.031 120.300 -0.035 0.000 2.583 817 Y HA 0.260 4.810 4.550 -0.000 0.000 0.294 817 Y C 0.447 176.327 175.900 -0.033 0.000 1.170 817 Y CA -1.161 56.920 58.100 -0.032 0.000 1.265 817 Y CB -0.315 38.125 38.460 -0.035 0.000 1.119 817 Y HN 0.192 nan 8.280 nan 0.000 0.522 818 E N 1.161 121.421 120.200 0.100 0.000 2.383 818 E HA 0.103 4.452 4.350 -0.000 0.000 0.264 818 E C 0.052 176.665 176.600 0.021 0.000 1.050 818 E CA -0.043 56.381 56.400 0.041 0.000 0.896 818 E CB 0.904 30.610 29.700 0.009 0.000 0.982 818 E HN 0.385 nan 8.360 nan 0.000 0.424 819 Q N 0.299 120.106 119.800 0.012 0.000 2.214 819 Q HA 0.569 4.909 4.340 -0.000 0.000 0.168 819 Q C -0.419 175.582 176.000 0.002 0.000 1.047 819 Q CA -0.666 55.139 55.803 0.004 0.000 1.102 819 Q CB 0.178 28.918 28.738 0.004 0.000 1.458 819 Q HN 0.531 nan 8.270 nan 0.000 0.561 820 A N 0.198 123.019 122.820 0.003 0.000 2.301 820 A HA 0.245 4.565 4.320 -0.000 0.000 0.298 820 A C -0.200 177.390 177.584 0.009 0.000 1.185 820 A CA -0.473 51.569 52.037 0.007 0.000 0.830 820 A CB 0.109 19.113 19.000 0.006 0.000 1.112 820 A HN 0.695 nan 8.150 nan 0.000 0.508 821 E N 1.050 121.257 120.200 0.012 0.000 2.485 821 E HA 0.073 4.423 4.350 -0.000 0.000 0.194 821 E C 0.330 176.942 176.600 0.021 0.000 1.098 821 E CA 0.699 57.109 56.400 0.016 0.000 0.878 821 E CB -0.156 29.556 29.700 0.020 0.000 0.939 821 E HN 0.778 nan 8.360 nan 0.000 0.503 822 S N -0.800 114.911 115.700 0.018 0.000 2.655 822 S HA 0.025 4.495 4.470 -0.000 0.000 0.263 822 S C -1.694 172.913 174.600 0.011 0.000 1.091 822 S CA -1.163 57.046 58.200 0.015 0.000 0.865 822 S CB 1.039 64.252 63.200 0.021 0.000 1.146 822 S HN -0.060 nan 8.310 nan 0.000 0.482 823 D N 1.015 121.420 120.400 0.008 0.000 2.339 823 D HA 0.342 4.982 4.640 -0.000 0.000 0.256 823 D C 1.424 177.726 176.300 0.004 0.000 1.214 823 D CA -0.335 53.667 54.000 0.004 0.000 0.877 823 D CB 0.456 41.257 40.800 0.001 0.000 1.111 823 D HN 0.605 nan 8.370 nan 0.000 0.478 824 I N 0.724 121.295 120.570 0.002 0.000 2.703 824 I HA -0.089 4.080 4.170 -0.000 0.000 0.259 824 I C 1.884 177.994 176.117 -0.010 0.000 1.151 824 I CA -0.042 61.258 61.300 -0.001 0.000 1.470 824 I CB -0.233 37.767 38.000 0.001 0.000 1.112 824 I HN 0.200 nan 8.210 nan 0.000 0.437 825 M N 1.629 121.222 119.600 -0.012 0.000 2.435 825 M HA -0.156 4.323 4.480 -0.000 0.000 0.262 825 M C 1.873 178.166 176.300 -0.012 0.000 1.065 825 M CA 1.484 56.775 55.300 -0.015 0.000 1.076 825 M CB -1.072 31.520 32.600 -0.013 0.000 1.403 825 M HN 0.256 nan 8.290 nan 0.000 0.454 826 K N 1.239 121.634 120.400 -0.007 0.000 2.487 826 K HA 0.001 4.321 4.320 -0.000 0.000 0.192 826 K C 0.484 177.081 176.600 -0.005 0.000 1.027 826 K CA 0.009 56.293 56.287 -0.005 0.000 1.054 826 K CB 0.267 32.767 32.500 -0.001 0.000 0.824 826 K HN 0.377 nan 8.250 nan 0.000 0.510 827 R N -0.608 119.886 120.500 -0.009 0.000 2.803 827 R HA 0.327 4.667 4.340 -0.000 0.000 0.276 827 R C -0.636 175.652 176.300 -0.020 0.000 0.978 827 R CA -1.012 55.082 56.100 -0.010 0.000 0.939 827 R CB 0.808 31.106 30.300 -0.004 0.000 1.179 827 R HN -0.170 nan 8.270 nan 0.000 0.472 828 Q N 1.253 121.042 119.800 -0.020 0.000 2.474 828 Q HA 0.179 4.519 4.340 -0.000 0.000 0.256 828 Q C -2.003 173.968 176.000 -0.048 0.000 1.048 828 Q CA -1.380 54.406 55.803 -0.027 0.000 0.922 828 Q CB 0.192 28.918 28.738 -0.020 0.000 1.288 828 Q HN 0.505 nan 8.270 nan 0.000 0.484 829 P HA 0.042 nan 4.420 nan 0.000 0.271 829 P C -0.635 176.607 177.300 -0.097 0.000 1.216 829 P CA -0.104 62.945 63.100 -0.086 0.000 0.776 829 P CB 0.367 32.022 31.700 -0.074 0.000 0.881 830 R N 1.468 121.877 120.500 -0.152 0.000 2.640 830 R HA 0.032 4.372 4.340 -0.000 0.000 0.270 830 R C -0.059 176.177 176.300 -0.106 0.000 1.024 830 R CA -0.176 55.831 56.100 -0.154 0.000 1.085 830 R CB -0.428 29.697 30.300 -0.292 0.000 0.963 830 R HN 0.368 nan 8.270 nan 0.000 0.426 831 N N 3.821 122.482 118.700 -0.066 0.000 2.448 831 N HA 0.084 4.824 4.740 -0.000 0.000 0.250 831 N C -1.608 173.875 175.510 -0.045 0.000 1.136 831 N CA -1.807 51.215 53.050 -0.045 0.000 0.953 831 N CB 0.837 39.309 38.487 -0.024 0.000 1.251 831 N HN 0.471 nan 8.380 nan 0.000 0.502 832 P HA -0.238 nan 4.420 nan 0.000 0.218 832 P C 0.183 177.461 177.300 -0.035 0.000 1.146 832 P CA 1.434 64.507 63.100 -0.044 0.000 0.820 832 P CB 0.220 31.893 31.700 -0.044 0.000 0.778 833 K N -1.500 118.879 120.400 -0.035 0.000 2.361 833 K HA 0.130 4.450 4.320 -0.000 0.000 0.196 833 K C 1.599 178.177 176.600 -0.037 0.000 1.039 833 K CA 0.825 57.088 56.287 -0.040 0.000 1.001 833 K CB -0.509 31.973 32.500 -0.030 0.000 0.795 833 K HN 0.179 nan 8.250 nan 0.000 0.495 834 T N 0.791 115.334 114.554 -0.019 0.000 3.098 834 T HA 0.039 4.389 4.350 -0.000 0.000 0.246 834 T C 0.058 174.772 174.700 0.023 0.000 0.983 834 T CA 0.127 62.227 62.100 0.000 0.000 1.094 834 T CB 0.312 69.185 68.868 0.008 0.000 1.035 834 T HN 0.077 nan 8.240 nan 0.000 0.456 835 D N 3.232 123.651 120.400 0.031 0.000 2.563 835 D HA 0.198 4.838 4.640 -0.000 0.000 0.222 835 D C 0.057 176.438 176.300 0.135 0.000 1.145 835 D CA -0.039 54.007 54.000 0.076 0.000 1.001 835 D CB 0.567 41.401 40.800 0.055 0.000 1.049 835 D HN 0.112 nan 8.370 nan 0.000 0.515 836 K N 0.789 121.264 120.400 0.125 0.000 2.187 836 K HA 0.060 4.380 4.320 -0.000 0.000 0.247 836 K C 1.150 177.889 176.600 0.232 0.000 1.019 836 K CA -0.674 55.708 56.287 0.158 0.000 0.893 836 K CB 1.090 33.666 32.500 0.126 0.000 1.025 836 K HN 0.161 nan 8.250 nan 0.000 0.500 837 L N 0.968 122.312 121.223 0.201 0.000 2.209 837 L HA 0.016 4.355 4.340 -0.000 0.000 0.207 837 L C 0.410 177.303 176.870 0.039 0.000 1.094 837 L CA 1.390 56.242 54.840 0.020 0.000 0.790 837 L CB 0.483 42.491 42.059 -0.085 0.000 0.932 837 L HN 0.264 nan 8.230 nan 0.000 0.447 838 V N 3.497 123.513 119.914 0.171 0.000 2.315 838 V HA 0.274 4.394 4.120 -0.000 0.000 0.265 838 V C -0.383 175.819 176.094 0.180 0.000 1.019 838 V CA -0.862 61.563 62.300 0.207 0.000 0.824 838 V CB 0.404 32.494 31.823 0.444 0.000 1.072 838 V HN 0.441 nan 8.190 nan 0.000 0.448 839 N N 2.254 121.029 118.700 0.125 0.000 2.434 839 N HA 0.231 4.971 4.740 -0.000 0.000 0.266 839 N C 0.601 176.132 175.510 0.035 0.000 1.223 839 N CA -0.550 52.564 53.050 0.105 0.000 0.972 839 N CB 1.703 40.248 38.487 0.097 0.000 1.207 839 N HN 0.317 nan 8.380 nan 0.000 0.525 840 E N 0.308 120.524 120.200 0.026 0.000 2.153 840 E HA -0.201 4.149 4.350 -0.000 0.000 0.194 840 E C 1.749 178.324 176.600 -0.042 0.000 0.988 840 E CA 1.501 57.888 56.400 -0.022 0.000 0.811 840 E CB -0.191 29.506 29.700 -0.005 0.000 0.746 840 E HN 0.617 nan 8.360 nan 0.000 0.466 841 Q N 0.138 119.925 119.800 -0.022 0.000 2.084 841 Q HA -0.121 4.219 4.340 -0.000 0.000 0.202 841 Q C 2.284 178.196 176.000 -0.145 0.000 0.978 841 Q CA 1.215 56.989 55.803 -0.048 0.000 0.844 841 Q CB -0.209 28.526 28.738 -0.006 0.000 0.898 841 Q HN 0.332 nan 8.270 nan 0.000 0.426 842 L N 0.249 121.376 121.223 -0.160 0.000 2.201 842 L HA -0.151 4.189 4.340 -0.000 0.000 0.212 842 L C 1.846 178.586 176.870 -0.218 0.000 1.105 842 L CA 0.644 55.310 54.840 -0.290 0.000 0.775 842 L CB -0.031 41.946 42.059 -0.136 0.000 0.913 842 L HN 0.189 nan 8.230 nan 0.000 0.440 843 I N 0.209 120.680 120.570 -0.166 0.000 2.179 843 I HA -0.230 3.940 4.170 -0.000 0.000 0.242 843 I C 2.566 178.605 176.117 -0.130 0.000 1.088 843 I CA 1.791 62.959 61.300 -0.220 0.000 1.357 843 I CB -1.521 36.320 38.000 -0.266 0.000 1.051 843 I HN 0.478 nan 8.210 nan 0.000 0.409 844 S N -0.725 114.920 115.700 -0.092 0.000 2.660 844 S HA 0.018 4.488 4.470 -0.000 0.000 0.228 844 S C 1.565 176.155 174.600 -0.015 0.000 0.966 844 S CA 0.405 58.591 58.200 -0.024 0.000 0.940 844 S CB -0.054 63.140 63.200 -0.010 0.000 0.773 844 S HN 0.265 nan 8.310 nan 0.000 0.535 845 M N 0.770 120.327 119.600 -0.072 0.000 2.906 845 M HA 0.388 4.868 4.480 -0.000 0.000 0.252 845 M C 2.450 178.761 176.300 0.018 0.000 1.359 845 M CA 1.206 56.470 55.300 -0.060 0.000 1.239 845 M CB -1.116 31.332 32.600 -0.253 0.000 1.229 845 M HN 0.464 nan 8.290 nan 0.000 0.547 846 A N -0.603 122.232 122.820 0.025 0.000 1.930 846 A HA -0.154 4.166 4.320 -0.000 0.000 0.217 846 A C 1.773 179.472 177.584 0.192 0.000 1.175 846 A CA 1.475 53.581 52.037 0.115 0.000 0.627 846 A CB -0.604 18.489 19.000 0.156 0.000 0.815 846 A HN 0.426 nan 8.150 nan 0.000 0.443 847 Y N -0.653 119.624 120.300 -0.039 0.000 2.190 847 Y HA 0.193 4.743 4.550 -0.000 0.000 0.290 847 Y C 2.697 178.588 175.900 -0.014 0.000 1.115 847 Y CA 0.678 58.762 58.100 -0.027 0.000 1.107 847 Y CB -0.988 37.457 38.460 -0.026 0.000 1.033 847 Y HN 0.264 nan 8.280 nan 0.000 0.502 848 G N -1.393 107.508 108.800 0.169 0.000 2.920 848 G HA2 0.065 4.025 3.960 -0.000 0.000 0.208 848 G HA3 0.065 4.025 3.960 -0.000 0.000 0.208 848 G C 0.971 175.907 174.900 0.059 0.000 1.159 848 G CA 0.398 45.557 45.100 0.097 0.000 0.784 848 G HN 0.394 nan 8.290 nan 0.000 0.535 849 Q N -1.220 118.613 119.800 0.055 0.000 2.258 849 Q HA 0.247 4.587 4.340 -0.000 0.000 0.173 849 Q C 1.988 177.997 176.000 0.014 0.000 0.618 849 Q CA -0.532 55.291 55.803 0.033 0.000 0.841 849 Q CB 0.124 28.931 28.738 0.115 0.000 1.177 849 Q HN 0.166 nan 8.270 nan 0.000 0.441 850 I N 1.341 121.950 120.570 0.064 0.000 2.233 850 I HA -0.077 4.093 4.170 -0.000 0.000 0.243 850 I C 2.308 178.419 176.117 -0.010 0.000 1.093 850 I CA 1.951 63.285 61.300 0.056 0.000 1.380 850 I CB -1.519 36.538 38.000 0.094 0.000 1.067 850 I HN 0.403 nan 8.210 nan 0.000 0.413 851 G N 0.401 109.183 108.800 -0.029 0.000 2.469 851 G HA2 -0.327 3.633 3.960 -0.000 0.000 0.220 851 G HA3 -0.327 3.633 3.960 -0.000 0.000 0.220 851 G C 1.674 176.519 174.900 -0.092 0.000 1.136 851 G CA 0.964 46.010 45.100 -0.090 0.000 0.759 851 G HN 0.194 nan 8.290 nan 0.000 0.562 852 M N 0.587 120.152 119.600 -0.058 0.000 2.065 852 M HA 0.076 4.556 4.480 -0.000 0.000 0.259 852 M C 2.440 178.699 176.300 -0.069 0.000 1.069 852 M CA 1.166 56.438 55.300 -0.047 0.000 1.110 852 M CB -0.511 32.073 32.600 -0.026 0.000 1.328 852 M HN 0.270 nan 8.290 nan 0.000 0.405 853 I N -1.069 119.459 120.570 -0.069 0.000 2.454 853 I HA -0.302 3.868 4.170 -0.000 0.000 0.254 853 I C 2.225 178.248 176.117 -0.157 0.000 1.156 853 I CA 1.057 62.313 61.300 -0.074 0.000 1.433 853 I CB -0.571 37.426 38.000 -0.005 0.000 1.082 853 I HN 0.415 nan 8.210 nan 0.000 0.432 854 Q N 0.483 120.198 119.800 -0.142 0.000 2.230 854 Q HA -0.102 4.238 4.340 -0.000 0.000 0.202 854 Q C 2.449 178.284 176.000 -0.275 0.000 0.963 854 Q CA 1.321 57.003 55.803 -0.202 0.000 0.866 854 Q CB -0.007 28.626 28.738 -0.175 0.000 0.931 854 Q HN 0.593 nan 8.270 nan 0.000 0.452 855 A N 0.833 123.532 122.820 -0.203 0.000 1.872 855 A HA -0.115 4.204 4.320 -0.000 0.000 0.214 855 A C 2.018 179.498 177.584 -0.174 0.000 1.187 855 A CA 0.820 52.759 52.037 -0.163 0.000 0.614 855 A CB -0.612 18.391 19.000 0.005 0.000 0.826 855 A HN 0.280 nan 8.150 nan 0.000 0.442 856 L N -0.441 120.680 121.223 -0.171 0.000 2.083 856 L HA -0.124 4.216 4.340 -0.000 0.000 0.209 856 L C 2.740 179.232 176.870 -0.631 0.000 1.083 856 L CA 1.112 55.818 54.840 -0.223 0.000 0.752 856 L CB -1.089 40.799 42.059 -0.284 0.000 0.899 856 L HN 0.472 nan 8.230 nan 0.000 0.433 857 G N 0.067 108.290 108.800 -0.962 0.000 2.432 857 G HA2 -0.165 3.795 3.960 -0.000 0.000 0.219 857 G HA3 -0.165 3.795 3.960 -0.000 0.000 0.219 857 G C 1.578 176.229 174.900 -0.414 0.000 1.135 857 G CA 0.765 45.407 45.100 -0.763 0.000 0.767 857 G HN 0.488 nan 8.290 nan 0.000 0.550 858 G N 0.381 108.795 108.800 -0.643 0.000 2.404 858 G HA2 -0.070 3.890 3.960 -0.000 0.000 0.215 858 G HA3 -0.070 3.890 3.960 -0.000 0.000 0.215 858 G C 1.578 175.991 174.900 -0.810 0.000 1.174 858 G CA 0.514 44.833 45.100 -1.302 0.000 0.780 858 G HN 0.399 nan 8.290 nan 0.000 0.537 859 F N -0.479 119.430 119.950 -0.067 0.000 2.259 859 F HA 0.134 4.661 4.527 -0.000 0.000 0.298 859 F C 2.201 178.205 175.800 0.341 0.000 1.088 859 F CA 0.380 58.492 58.000 0.186 0.000 1.358 859 F CB -0.240 38.888 39.000 0.214 0.000 1.040 859 F HN 0.114 nan 8.300 nan 0.000 0.505 860 F N 0.895 121.032 119.950 0.313 0.000 2.069 860 F HA -0.280 4.247 4.527 -0.000 0.000 0.298 860 F C 2.705 178.665 175.800 0.267 0.000 1.113 860 F CA 2.167 60.383 58.000 0.359 0.000 1.214 860 F CB -1.106 38.121 39.000 0.380 0.000 0.978 860 F HN -0.113 nan 8.300 nan 0.000 0.474 861 T N -0.832 113.797 114.554 0.126 0.000 2.803 861 T HA -0.293 4.057 4.350 -0.000 0.000 0.269 861 T C 1.761 176.406 174.700 -0.092 0.000 1.052 861 T CA 1.763 63.832 62.100 -0.051 0.000 1.136 861 T CB -0.769 68.069 68.868 -0.050 0.000 0.864 861 T HN 0.502 nan 8.240 nan 0.000 0.467 862 Y N 0.758 120.999 120.300 -0.098 0.000 2.049 862 Y HA -0.150 4.400 4.550 -0.000 0.000 0.277 862 Y C 1.821 177.564 175.900 -0.262 0.000 1.143 862 Y CA 1.902 59.900 58.100 -0.171 0.000 1.115 862 Y CB -0.798 37.567 38.460 -0.159 0.000 0.975 862 Y HN 0.278 nan 8.280 nan 0.000 0.487 863 F N -0.741 119.243 119.950 0.056 0.000 2.269 863 F HA -0.208 4.319 4.527 -0.000 0.000 0.301 863 F C 2.346 178.026 175.800 -0.199 0.000 1.082 863 F CA 1.231 59.176 58.000 -0.091 0.000 1.360 863 F CB -1.128 37.910 39.000 0.064 0.000 1.041 863 F HN -0.044 nan 8.300 nan 0.000 0.512 864 V N 0.374 120.211 119.914 -0.129 0.000 2.220 864 V HA -0.310 3.810 4.120 -0.000 0.000 0.246 864 V C 2.450 178.410 176.094 -0.224 0.000 1.049 864 V CA 1.625 63.807 62.300 -0.196 0.000 1.003 864 V CB -0.564 31.082 31.823 -0.295 0.000 0.634 864 V HN 0.171 nan 8.190 nan 0.000 0.444 865 I N -0.370 119.914 120.570 -0.476 0.000 2.194 865 I HA -0.258 3.912 4.170 -0.000 0.000 0.246 865 I C 2.387 178.333 176.117 -0.285 0.000 1.093 865 I CA 1.821 62.752 61.300 -0.615 0.000 1.355 865 I CB -1.310 36.238 38.000 -0.754 0.000 1.046 865 I HN 0.278 nan 8.210 nan 0.000 0.413 866 L N 0.399 121.427 121.223 -0.324 0.000 2.027 866 L HA -0.153 4.187 4.340 -0.000 0.000 0.206 866 L C 2.854 179.752 176.870 0.046 0.000 1.074 866 L CA 1.359 56.064 54.840 -0.224 0.000 0.745 866 L CB -0.753 41.053 42.059 -0.421 0.000 0.898 866 L HN 0.188 nan 8.230 nan 0.000 0.433 867 A N 0.178 123.035 122.820 0.062 0.000 1.865 867 A HA -0.245 4.074 4.320 -0.000 0.000 0.217 867 A C 2.095 179.808 177.584 0.215 0.000 1.191 867 A CA 1.840 53.971 52.037 0.156 0.000 0.623 867 A CB -0.585 18.489 19.000 0.124 0.000 0.826 867 A HN 0.469 nan 8.150 nan 0.000 0.444 868 E N -0.436 119.882 120.200 0.196 0.000 2.265 868 E HA -0.124 4.226 4.350 -0.000 0.000 0.196 868 E C 0.639 177.398 176.600 0.265 0.000 0.996 868 E CA 0.708 57.258 56.400 0.249 0.000 0.832 868 E CB -0.124 29.787 29.700 0.352 0.000 0.756 868 E HN 0.465 nan 8.360 nan 0.000 0.491 869 N N -0.524 118.339 118.700 0.271 0.000 2.235 869 N HA 0.048 4.788 4.740 -0.000 0.000 0.209 869 N C 0.424 176.230 175.510 0.494 0.000 1.122 869 N CA 0.632 53.880 53.050 0.329 0.000 0.845 869 N CB 1.482 40.099 38.487 0.217 0.000 1.004 869 N HN 0.234 nan 8.380 nan 0.000 0.499 870 G N 0.337 109.417 108.800 0.467 0.000 2.131 870 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.201 870 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.201 870 G C -0.506 174.479 174.900 0.141 0.000 1.000 870 G CA -0.515 44.887 45.100 0.502 0.000 0.680 870 G HN 0.201 nan 8.290 nan 0.000 0.514 871 F N 1.089 121.115 119.950 0.126 0.000 2.676 871 F HA 0.516 5.043 4.527 -0.000 0.000 0.371 871 F C 0.862 176.688 175.800 0.043 0.000 1.141 871 F CA -1.106 56.918 58.000 0.039 0.000 1.133 871 F CB 0.846 39.824 39.000 -0.037 0.000 1.376 871 F HN -0.001 nan 8.300 nan 0.000 0.491 872 L N 3.882 125.197 121.223 0.153 0.000 2.479 872 L HA 0.062 4.402 4.340 -0.000 0.000 0.270 872 L C -1.262 175.723 176.870 0.191 0.000 1.236 872 L CA -1.317 53.612 54.840 0.149 0.000 0.823 872 L CB 0.340 42.465 42.059 0.109 0.000 1.098 872 L HN 0.254 nan 8.230 nan 0.000 0.500 873 P HA -0.193 nan 4.420 nan 0.000 0.210 873 P C 1.793 179.143 177.300 0.083 0.000 1.189 873 P CA 1.376 64.547 63.100 0.119 0.000 0.920 873 P CB -0.018 31.564 31.700 -0.197 0.000 0.782 874 I N -1.737 118.826 120.570 -0.012 0.000 2.130 874 I HA -0.377 3.793 4.170 -0.000 0.000 0.241 874 I C 1.948 178.039 176.117 -0.043 0.000 1.023 874 I CA 2.304 63.566 61.300 -0.064 0.000 1.293 874 I CB -1.815 36.106 38.000 -0.133 0.000 1.001 874 I HN 0.024 nan 8.210 nan 0.000 0.407 875 H N 0.559 119.643 119.070 0.023 0.000 2.560 875 H HA 0.132 4.688 4.556 -0.000 0.000 0.283 875 H C 1.962 177.336 175.328 0.076 0.000 1.028 875 H CA 0.786 56.859 56.048 0.041 0.000 1.221 875 H CB -0.049 29.732 29.762 0.031 0.000 1.363 875 H HN 0.376 nan 8.280 nan 0.000 0.594 876 L N 0.441 121.773 121.223 0.183 0.000 2.599 876 L HA 0.067 4.407 4.340 -0.000 0.000 0.230 876 L C -0.094 176.818 176.870 0.070 0.000 1.141 876 L CA -0.058 54.860 54.840 0.131 0.000 0.877 876 L CB 0.161 42.322 42.059 0.170 0.000 1.009 876 L HN 0.186 nan 8.230 nan 0.000 0.447 877 L N 0.170 121.426 121.223 0.056 0.000 2.360 877 L HA 0.265 4.605 4.340 -0.000 0.000 0.276 877 L C 1.315 178.189 176.870 0.006 0.000 1.121 877 L CA 0.240 55.087 54.840 0.012 0.000 0.845 877 L CB 0.580 42.634 42.059 -0.008 0.000 1.143 877 L HN 0.258 nan 8.230 nan 0.000 0.452 878 G N 2.824 111.609 108.800 -0.025 0.000 2.153 878 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.252 878 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.252 878 G C 0.731 175.639 174.900 0.014 0.000 0.994 878 G CA 0.305 45.391 45.100 -0.023 0.000 0.698 878 G HN 0.575 nan 8.290 nan 0.000 0.521 879 L N -0.233 121.005 121.223 0.025 0.000 2.162 879 L HA -0.026 4.314 4.340 -0.000 0.000 0.205 879 L C 3.172 180.122 176.870 0.132 0.000 1.086 879 L CA 1.644 56.544 54.840 0.101 0.000 0.778 879 L CB -0.664 41.454 42.059 0.098 0.000 0.928 879 L HN 0.578 nan 8.230 nan 0.000 0.446 880 R N 0.745 121.265 120.500 0.034 0.000 2.159 880 R HA -0.210 4.130 4.340 -0.000 0.000 0.252 880 R C 1.938 178.336 176.300 0.164 0.000 1.144 880 R CA 2.101 58.256 56.100 0.092 0.000 0.961 880 R CB -1.856 28.396 30.300 -0.079 0.000 0.877 880 R HN 0.148 nan 8.270 nan 0.000 0.444 881 V N 1.998 121.965 119.914 0.089 0.000 2.217 881 V HA -0.346 3.773 4.120 -0.000 0.000 0.248 881 V C 1.913 178.076 176.094 0.115 0.000 1.050 881 V CA 2.336 64.688 62.300 0.087 0.000 1.007 881 V CB -0.936 30.917 31.823 0.051 0.000 0.639 881 V HN 0.385 nan 8.190 nan 0.000 0.452 882 N N -0.901 117.875 118.700 0.127 0.000 2.166 882 N HA -0.189 4.551 4.740 -0.000 0.000 0.186 882 N C 1.508 177.108 175.510 0.150 0.000 1.019 882 N CA 1.673 54.799 53.050 0.125 0.000 0.856 882 N CB -0.522 38.046 38.487 0.135 0.000 0.993 882 N HN 0.740 nan 8.380 nan 0.000 0.426 883 W N 2.499 123.806 121.300 0.012 0.000 2.298 883 W HA -0.207 4.453 4.660 -0.000 0.000 0.328 883 W C 0.621 177.134 176.519 -0.011 0.000 1.259 883 W CA 1.520 58.847 57.345 -0.030 0.000 1.251 883 W CB -0.370 29.049 29.460 -0.068 0.000 1.161 883 W HN 0.087 nan 8.180 nan 0.000 0.466 884 D N 0.638 121.199 120.400 0.269 0.000 2.378 884 D HA -0.101 4.539 4.640 -0.000 0.000 0.227 884 D C 0.133 176.472 176.300 0.065 0.000 1.012 884 D CA 0.865 54.980 54.000 0.191 0.000 0.905 884 D CB -0.633 40.308 40.800 0.235 0.000 0.895 884 D HN 0.055 nan 8.370 nan 0.000 0.532 885 D N 1.035 121.431 120.400 -0.007 0.000 2.434 885 D HA -0.069 4.571 4.640 -0.000 0.000 0.252 885 D C 0.954 177.023 176.300 -0.385 0.000 1.185 885 D CA 0.054 53.925 54.000 -0.215 0.000 0.886 885 D CB 0.638 41.386 40.800 -0.085 0.000 1.148 885 D HN -0.019 nan 8.370 nan 0.000 0.483 886 R N 3.081 122.931 120.500 -1.084 0.000 2.356 886 R HA 0.109 4.449 4.340 -0.000 0.000 0.234 886 R C 0.738 176.459 176.300 -0.965 0.000 0.929 886 R CA 0.069 55.226 56.100 -1.572 0.000 1.084 886 R CB 0.150 29.305 30.300 -1.909 0.000 1.105 886 R HN 0.574 nan 8.270 nan 0.000 0.515 887 W N -0.258 120.951 121.300 -0.152 0.000 3.008 887 W HA 0.309 4.968 4.660 -0.000 0.000 0.259 887 W C 0.387 176.893 176.519 -0.022 0.000 1.045 887 W CA -0.877 56.418 57.345 -0.082 0.000 1.814 887 W CB 0.059 29.487 29.460 -0.053 0.000 1.089 887 W HN -0.204 nan 8.180 nan 0.000 0.606 888 I N 4.053 124.741 120.570 0.197 0.000 3.022 888 I HA -0.206 3.964 4.170 -0.000 0.000 0.290 888 I C 0.537 176.722 176.117 0.113 0.000 1.212 888 I CA 1.008 62.388 61.300 0.133 0.000 1.377 888 I CB -0.245 37.813 38.000 0.098 0.000 1.417 888 I HN 0.254 nan 8.210 nan 0.000 0.540 889 N N 6.120 124.888 118.700 0.113 0.000 2.273 889 N HA 0.031 4.771 4.740 -0.000 0.000 0.231 889 N C -0.269 175.292 175.510 0.084 0.000 1.134 889 N CA 0.176 53.288 53.050 0.103 0.000 0.856 889 N CB 0.455 39.003 38.487 0.101 0.000 1.068 889 N HN 0.682 nan 8.380 nan 0.000 0.510 890 D N -0.483 119.970 120.400 0.088 0.000 3.100 890 D HA 0.053 4.693 4.640 -0.000 0.000 0.350 890 D C -0.176 176.191 176.300 0.113 0.000 1.310 890 D CA -0.261 53.790 54.000 0.085 0.000 0.741 890 D CB -0.185 40.648 40.800 0.056 0.000 1.248 890 D HN -0.283 nan 8.370 nan 0.000 0.527 891 V N 0.691 120.693 119.914 0.148 0.000 2.715 891 V HA 0.103 4.223 4.120 -0.000 0.000 0.299 891 V C 0.718 176.971 176.094 0.266 0.000 1.054 891 V CA -0.019 62.390 62.300 0.182 0.000 1.077 891 V CB 1.461 33.378 31.823 0.158 0.000 0.972 891 V HN 0.331 nan 8.190 nan 0.000 0.484 892 E N 2.887 123.209 120.200 0.203 0.000 2.197 892 E HA 0.312 4.662 4.350 -0.000 0.000 0.281 892 E C -0.637 175.996 176.600 0.055 0.000 0.995 892 E CA -0.827 55.653 56.400 0.134 0.000 0.808 892 E CB 1.062 30.795 29.700 0.056 0.000 1.093 892 E HN 0.882 nan 8.360 nan 0.000 0.394 893 D N 1.892 122.219 120.400 -0.122 0.000 2.425 893 D HA 0.047 4.687 4.640 -0.000 0.000 0.274 893 D C 0.303 176.298 176.300 -0.508 0.000 1.242 893 D CA -0.391 53.206 54.000 -0.672 0.000 1.060 893 D CB 0.230 40.459 40.800 -0.951 0.000 1.112 893 D HN 0.233 nan 8.370 nan 0.000 0.561 894 S N -2.198 113.120 115.700 -0.636 0.000 2.593 894 S HA 0.053 4.523 4.470 -0.000 0.000 0.217 894 S C 0.625 174.909 174.600 -0.527 0.000 0.966 894 S CA -0.169 57.569 58.200 -0.771 0.000 0.914 894 S CB -0.497 62.267 63.200 -0.726 0.000 0.776 894 S HN 0.397 nan 8.310 nan 0.000 0.523 895 Y N 0.656 120.817 120.300 -0.232 0.000 2.467 895 Y HA 0.343 4.893 4.550 -0.000 0.000 0.250 895 Y C 1.822 177.657 175.900 -0.107 0.000 1.155 895 Y CA -0.005 58.021 58.100 -0.123 0.000 1.249 895 Y CB 0.598 39.009 38.460 -0.081 0.000 1.146 895 Y HN 0.342 nan 8.280 nan 0.000 0.524 896 G N 0.228 109.020 108.800 -0.013 0.000 2.199 896 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.254 896 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.254 896 G C 0.281 175.171 174.900 -0.017 0.000 0.982 896 G CA -0.089 45.002 45.100 -0.016 0.000 0.632 896 G HN 0.364 nan 8.290 nan 0.000 0.529 897 Q N 0.001 119.792 119.800 -0.015 0.000 2.492 897 Q HA 0.502 4.842 4.340 -0.000 0.000 0.238 897 Q C 0.200 176.152 176.000 -0.080 0.000 1.045 897 Q CA 0.384 56.130 55.803 -0.096 0.000 0.934 897 Q CB 0.369 29.004 28.738 -0.171 0.000 1.276 897 Q HN 0.587 nan 8.270 nan 0.000 0.521 898 Q N 0.696 120.386 119.800 -0.183 0.000 2.337 898 Q HA 0.358 4.698 4.340 -0.000 0.000 0.270 898 Q C -1.602 174.303 176.000 -0.157 0.000 1.043 898 Q CA -0.384 55.383 55.803 -0.060 0.000 0.794 898 Q CB 1.476 30.196 28.738 -0.030 0.000 1.281 898 Q HN 0.435 nan 8.270 nan 0.000 0.446 899 W N 1.516 122.829 121.300 0.023 0.000 2.573 899 W HA 0.367 5.027 4.660 -0.000 0.000 0.326 899 W C 0.827 177.311 176.519 -0.059 0.000 1.049 899 W CA -0.567 56.770 57.345 -0.014 0.000 1.220 899 W CB 1.561 31.016 29.460 -0.008 0.000 1.373 899 W HN 0.590 nan 8.180 nan 0.000 0.507 900 T N -1.003 113.635 114.554 0.141 0.000 2.681 900 T HA -0.057 4.293 4.350 -0.000 0.000 0.333 900 T C 0.738 175.464 174.700 0.043 0.000 1.049 900 T CA 0.369 62.520 62.100 0.085 0.000 1.002 900 T CB 0.292 69.200 68.868 0.067 0.000 1.161 900 T HN 0.448 nan 8.240 nan 0.000 0.519 901 Y N 0.863 121.118 120.300 -0.075 0.000 2.084 901 Y HA 0.025 4.574 4.550 -0.000 0.000 0.279 901 Y C 2.778 178.559 175.900 -0.197 0.000 1.119 901 Y CA 2.031 60.030 58.100 -0.168 0.000 1.101 901 Y CB -0.607 37.773 38.460 -0.133 0.000 0.989 901 Y HN 0.648 nan 8.280 nan 0.000 0.484 902 E N 0.553 120.681 120.200 -0.120 0.000 2.118 902 E HA -0.245 4.105 4.350 -0.000 0.000 0.195 902 E C 2.093 178.556 176.600 -0.228 0.000 0.992 902 E CA 1.605 57.886 56.400 -0.199 0.000 0.804 902 E CB -0.292 29.413 29.700 0.008 0.000 0.741 902 E HN 0.698 nan 8.360 nan 0.000 0.458 903 Q N 0.044 119.782 119.800 -0.103 0.000 2.002 903 Q HA -0.189 4.151 4.340 -0.000 0.000 0.204 903 Q C 2.333 178.260 176.000 -0.122 0.000 0.988 903 Q CA 1.948 57.760 55.803 0.015 0.000 0.843 903 Q CB -0.406 28.468 28.738 0.227 0.000 0.908 903 Q HN 0.299 nan 8.270 nan 0.000 0.420 904 R N 0.556 120.872 120.500 -0.307 0.000 2.127 904 R HA -0.107 4.232 4.340 -0.000 0.000 0.238 904 R C 1.919 177.759 176.300 -0.765 0.000 1.134 904 R CA 1.124 56.739 56.100 -0.809 0.000 0.975 904 R CB -0.167 29.312 30.300 -1.369 0.000 0.865 904 R HN -0.034 nan 8.270 nan 0.000 0.447 905 K N 0.999 120.929 120.400 -0.784 0.000 2.026 905 K HA -0.052 4.268 4.320 -0.000 0.000 0.208 905 K C 2.083 178.220 176.600 -0.771 0.000 1.048 905 K CA 0.996 56.764 56.287 -0.865 0.000 0.929 905 K CB -0.279 31.666 32.500 -0.924 0.000 0.713 905 K HN 0.231 nan 8.250 nan 0.000 0.439 906 I N 1.133 121.379 120.570 -0.540 0.000 2.399 906 I HA -0.212 3.958 4.170 -0.000 0.000 0.254 906 I C 2.286 178.069 176.117 -0.557 0.000 1.146 906 I CA 0.968 61.916 61.300 -0.587 0.000 1.412 906 I CB -1.127 36.612 38.000 -0.434 0.000 1.076 906 I HN -0.158 nan 8.210 nan 0.000 0.432 907 V N 0.427 120.077 119.914 -0.441 0.000 2.407 907 V HA -0.207 3.913 4.120 -0.000 0.000 0.245 907 V C 2.521 178.407 176.094 -0.348 0.000 1.041 907 V CA 1.593 63.679 62.300 -0.356 0.000 1.040 907 V CB -0.529 31.058 31.823 -0.393 0.000 0.671 907 V HN 0.413 nan 8.190 nan 0.000 0.455 908 E N 0.247 120.213 120.200 -0.389 0.000 2.049 908 E HA -0.263 4.087 4.350 -0.000 0.000 0.198 908 E C 2.099 178.422 176.600 -0.460 0.000 1.007 908 E CA 2.037 58.188 56.400 -0.416 0.000 0.809 908 E CB -0.208 29.223 29.700 -0.448 0.000 0.749 908 E HN 0.495 nan 8.360 nan 0.000 0.450 909 F N 0.668 120.372 119.950 -0.409 0.000 2.186 909 F HA -0.079 4.448 4.527 -0.000 0.000 0.299 909 F C 2.592 178.377 175.800 -0.025 0.000 1.090 909 F CA 1.229 59.069 58.000 -0.267 0.000 1.307 909 F CB -1.052 38.002 39.000 0.091 0.000 1.019 909 F HN 0.051 nan 8.300 nan 0.000 0.489 910 T N -1.935 112.636 114.554 0.027 0.000 3.118 910 T HA -0.109 4.240 4.350 -0.000 0.000 0.260 910 T C 1.990 176.678 174.700 -0.019 0.000 1.139 910 T CA 0.722 62.860 62.100 0.063 0.000 1.085 910 T CB -0.548 68.310 68.868 -0.018 0.000 0.934 910 T HN 0.357 nan 8.240 nan 0.000 0.518 911 C N 0.059 119.315 119.300 -0.074 0.000 2.634 911 C HA 0.224 4.684 4.460 -0.000 0.000 0.268 911 C C 2.234 177.318 174.990 0.157 0.000 1.322 911 C CA -0.235 58.741 59.018 -0.071 0.000 1.737 911 C CB -0.947 26.668 27.740 -0.207 0.000 1.976 911 C HN 0.677 nan 8.230 nan 0.000 0.547 912 H N -0.723 118.392 119.070 0.074 0.000 2.307 912 H HA -0.103 4.453 4.556 -0.000 0.000 0.303 912 H C 2.383 177.782 175.328 0.118 0.000 1.073 912 H CA 1.665 57.764 56.048 0.084 0.000 1.338 912 H CB -0.079 29.748 29.762 0.108 0.000 1.389 912 H HN 0.298 nan 8.280 nan 0.000 0.503 913 T N 1.652 116.346 114.554 0.234 0.000 2.665 913 T HA -0.122 4.228 4.350 -0.000 0.000 0.268 913 T C -0.795 174.013 174.700 0.180 0.000 1.035 913 T CA 1.893 64.070 62.100 0.129 0.000 1.151 913 T CB -0.839 68.079 68.868 0.084 0.000 0.862 913 T HN 0.457 nan 8.240 nan 0.000 0.438 914 P HA 0.024 nan 4.420 nan 0.000 0.221 914 P C 1.371 178.707 177.300 0.059 0.000 1.155 914 P CA 0.741 63.880 63.100 0.065 0.000 0.812 914 P CB -0.230 31.437 31.700 -0.055 0.000 0.801 915 F N 0.071 120.007 119.950 -0.024 0.000 2.161 915 F HA -0.202 4.325 4.527 -0.000 0.000 0.300 915 F C 2.235 177.989 175.800 -0.075 0.000 1.089 915 F CA 1.484 59.435 58.000 -0.082 0.000 1.282 915 F CB -0.694 38.247 39.000 -0.098 0.000 1.010 915 F HN -0.205 nan 8.300 nan 0.000 0.485 916 F N -0.448 119.539 119.950 0.062 0.000 2.113 916 F HA -0.147 4.380 4.527 -0.000 0.000 0.297 916 F C 2.138 177.855 175.800 -0.138 0.000 1.103 916 F CA 1.637 59.616 58.000 -0.036 0.000 1.248 916 F CB -1.050 37.931 39.000 -0.032 0.000 0.999 916 F HN -0.203 nan 8.300 nan 0.000 0.475 917 V N -0.035 119.910 119.914 0.052 0.000 2.233 917 V HA -0.339 3.780 4.120 -0.000 0.000 0.247 917 V C 2.583 178.443 176.094 -0.391 0.000 1.050 917 V CA 2.649 64.796 62.300 -0.256 0.000 1.010 917 V CB -0.937 30.688 31.823 -0.330 0.000 0.637 917 V HN 0.603 nan 8.190 nan 0.000 0.444 918 T N -0.349 114.029 114.554 -0.293 0.000 2.649 918 T HA -0.238 4.112 4.350 -0.000 0.000 0.268 918 T C 1.811 176.265 174.700 -0.410 0.000 1.036 918 T CA 2.080 63.988 62.100 -0.321 0.000 1.157 918 T CB -0.281 68.405 68.868 -0.304 0.000 0.861 918 T HN 0.220 nan 8.240 nan 0.000 0.445 919 I N 0.940 121.253 120.570 -0.429 0.000 2.091 919 I HA -0.160 4.010 4.170 -0.000 0.000 0.239 919 I C 2.667 178.535 176.117 -0.416 0.000 1.061 919 I CA 1.243 62.300 61.300 -0.405 0.000 1.317 919 I CB -1.504 36.283 38.000 -0.354 0.000 1.031 919 I HN 0.167 nan 8.210 nan 0.000 0.401 920 V N 0.794 120.415 119.914 -0.489 0.000 2.313 920 V HA -0.301 3.819 4.120 -0.000 0.000 0.253 920 V C 2.599 178.316 176.094 -0.628 0.000 1.070 920 V CA 1.754 63.790 62.300 -0.439 0.000 1.057 920 V CB -0.738 30.818 31.823 -0.444 0.000 0.653 920 V HN 0.256 nan 8.190 nan 0.000 0.450 921 V N 0.309 119.715 119.914 -0.847 0.000 2.759 921 V HA -0.142 3.978 4.120 -0.000 0.000 0.256 921 V C 2.213 177.908 176.094 -0.666 0.000 1.080 921 V CA 1.764 63.302 62.300 -1.270 0.000 1.101 921 V CB -0.229 31.027 31.823 -0.943 0.000 0.698 921 V HN 0.622 nan 8.190 nan 0.000 0.477 922 V N -3.200 116.479 119.914 -0.392 0.000 3.354 922 V HA 0.056 4.176 4.120 -0.000 0.000 0.258 922 V C 1.992 178.026 176.094 -0.099 0.000 1.159 922 V CA 0.631 62.813 62.300 -0.196 0.000 1.125 922 V CB -0.333 31.380 31.823 -0.184 0.000 0.774 922 V HN 0.392 nan 8.190 nan 0.000 0.464 923 Q N -0.642 119.091 119.800 -0.112 0.000 2.432 923 Q HA -0.020 4.320 4.340 -0.000 0.000 0.205 923 Q C 1.774 177.973 176.000 0.332 0.000 0.945 923 Q CA 0.812 56.639 55.803 0.040 0.000 0.924 923 Q CB -0.142 28.592 28.738 -0.007 0.000 1.016 923 Q HN 0.810 nan 8.270 nan 0.000 0.503 924 W N 1.523 122.828 121.300 0.009 0.000 2.322 924 W HA -0.120 4.540 4.660 -0.000 0.000 0.326 924 W C 2.496 179.048 176.519 0.056 0.000 1.224 924 W CA 1.068 58.420 57.345 0.011 0.000 1.257 924 W CB -1.471 27.947 29.460 -0.070 0.000 1.174 924 W HN 0.156 nan 8.180 nan 0.000 0.460 925 A N 0.131 123.130 122.820 0.299 0.000 1.873 925 A HA -0.301 4.019 4.320 -0.000 0.000 0.218 925 A C 1.848 179.566 177.584 0.224 0.000 1.193 925 A CA 2.623 54.805 52.037 0.243 0.000 0.629 925 A CB -1.323 17.788 19.000 0.186 0.000 0.826 925 A HN 0.298 nan 8.150 nan 0.000 0.447 926 D N -0.888 119.622 120.400 0.182 0.000 2.133 926 D HA -0.163 4.477 4.640 -0.000 0.000 0.195 926 D C 1.721 178.206 176.300 0.308 0.000 0.997 926 D CA 1.340 55.450 54.000 0.184 0.000 0.840 926 D CB -0.217 40.605 40.800 0.038 0.000 0.947 926 D HN 0.255 nan 8.370 nan 0.000 0.452 927 L N -0.355 121.120 121.223 0.419 0.000 2.187 927 L HA -0.092 4.248 4.340 -0.000 0.000 0.213 927 L C 1.925 178.872 176.870 0.128 0.000 1.100 927 L CA 1.266 56.279 54.840 0.289 0.000 0.765 927 L CB -0.182 41.979 42.059 0.171 0.000 0.904 927 L HN 0.027 nan 8.230 nan 0.000 0.437 928 V N -0.454 119.549 119.914 0.147 0.000 2.575 928 V HA -0.097 4.023 4.120 -0.000 0.000 0.242 928 V C 2.239 178.371 176.094 0.064 0.000 1.045 928 V CA 1.217 63.577 62.300 0.100 0.000 1.065 928 V CB -0.048 31.869 31.823 0.155 0.000 0.717 928 V HN 0.570 nan 8.190 nan 0.000 0.467 929 I N -2.532 118.085 120.570 0.077 0.000 2.830 929 I HA -0.131 4.039 4.170 -0.000 0.000 0.263 929 I C 2.042 178.172 176.117 0.022 0.000 1.230 929 I CA 1.484 62.792 61.300 0.013 0.000 1.480 929 I CB -0.766 37.251 38.000 0.028 0.000 1.095 929 I HN 0.173 nan 8.210 nan 0.000 0.455 930 C N 1.114 120.453 119.300 0.065 0.000 2.634 930 C HA 0.080 4.540 4.460 -0.000 0.000 0.268 930 C C 2.628 177.598 174.990 -0.033 0.000 1.322 930 C CA 0.296 59.337 59.018 0.038 0.000 1.737 930 C CB -0.839 26.997 27.740 0.160 0.000 1.976 930 C HN 0.606 nan 8.230 nan 0.000 0.547 931 K N 1.602 121.991 120.400 -0.018 0.000 2.281 931 K HA -0.132 4.188 4.320 -0.000 0.000 0.203 931 K C 0.650 177.215 176.600 -0.059 0.000 1.046 931 K CA 1.760 58.025 56.287 -0.037 0.000 0.938 931 K CB -0.089 32.397 32.500 -0.025 0.000 0.737 931 K HN 0.655 nan 8.250 nan 0.000 0.458 932 T N -3.386 111.118 114.554 -0.083 0.000 2.888 932 T HA 0.448 4.798 4.350 -0.000 0.000 0.288 932 T C 0.497 175.082 174.700 -0.191 0.000 1.063 932 T CA -1.057 60.984 62.100 -0.097 0.000 1.010 932 T CB 1.999 70.833 68.868 -0.056 0.000 1.214 932 T HN 0.116 nan 8.240 nan 0.000 0.533 933 R N -1.234 119.171 120.500 -0.159 0.000 2.470 933 R HA 0.396 4.736 4.340 -0.000 0.000 0.210 933 R C 2.171 178.501 176.300 0.050 0.000 0.873 933 R CA -0.093 55.860 56.100 -0.246 0.000 1.015 933 R CB 0.481 30.589 30.300 -0.319 0.000 1.348 933 R HN 0.702 nan 8.270 nan 0.000 0.650 934 R N -0.880 119.689 120.500 0.114 0.000 2.650 934 R HA 0.210 4.550 4.340 -0.000 0.000 0.212 934 R C -0.607 175.716 176.300 0.039 0.000 0.904 934 R CA -0.185 56.003 56.100 0.146 0.000 1.021 934 R CB 0.447 30.862 30.300 0.192 0.000 1.519 934 R HN -0.046 nan 8.270 nan 0.000 0.639 935 N N 1.825 120.541 118.700 0.028 0.000 2.520 935 N HA 0.024 4.764 4.740 -0.000 0.000 0.273 935 N C -0.741 174.780 175.510 0.018 0.000 1.155 935 N CA 0.209 53.271 53.050 0.019 0.000 0.967 935 N CB 1.768 40.267 38.487 0.020 0.000 1.092 935 N HN 0.281 nan 8.380 nan 0.000 0.457 936 S N 1.068 116.792 115.700 0.040 0.000 2.572 936 S HA 0.072 4.542 4.470 -0.000 0.000 0.279 936 S C 1.462 176.128 174.600 0.110 0.000 1.341 936 S CA -0.765 57.484 58.200 0.082 0.000 1.043 936 S CB 0.606 63.886 63.200 0.134 0.000 0.887 936 S HN 0.260 nan 8.310 nan 0.000 0.516 937 V N 3.315 123.281 119.914 0.087 0.000 2.568 937 V HA -0.135 3.985 4.120 -0.000 0.000 0.253 937 V C 1.776 177.848 176.094 -0.037 0.000 1.072 937 V CA 1.830 64.125 62.300 -0.008 0.000 1.084 937 V CB -1.345 30.434 31.823 -0.073 0.000 0.676 937 V HN 0.881 nan 8.190 nan 0.000 0.469 938 F N 0.169 120.143 119.950 0.040 0.000 2.259 938 F HA -0.104 4.423 4.527 -0.000 0.000 0.298 938 F C 2.528 178.341 175.800 0.022 0.000 1.088 938 F CA 1.262 59.287 58.000 0.041 0.000 1.358 938 F CB -0.565 38.462 39.000 0.044 0.000 1.040 938 F HN 0.137 nan 8.300 nan 0.000 0.505 939 Q N -0.399 119.522 119.800 0.201 0.000 2.049 939 Q HA -0.220 4.120 4.340 -0.000 0.000 0.198 939 Q C 1.959 177.997 176.000 0.063 0.000 0.971 939 Q CA 1.405 57.272 55.803 0.107 0.000 0.833 939 Q CB -0.252 28.532 28.738 0.077 0.000 0.896 939 Q HN 0.342 nan 8.270 nan 0.000 0.434 940 Q N -0.301 119.526 119.800 0.045 0.000 2.403 940 Q HA 0.110 4.450 4.340 -0.000 0.000 0.203 940 Q C 0.477 176.479 176.000 0.004 0.000 0.932 940 Q CA 0.478 56.292 55.803 0.018 0.000 0.945 940 Q CB 0.205 28.947 28.738 0.006 0.000 1.045 940 Q HN 0.393 nan 8.270 nan 0.000 0.511 941 G N 1.012 109.812 108.800 0.000 0.000 2.581 941 G HA2 -0.296 3.664 3.960 -0.000 0.000 0.289 941 G HA3 -0.296 3.664 3.960 -0.000 0.000 0.289 941 G C -0.058 174.816 174.900 -0.042 0.000 1.303 941 G CA 0.299 45.382 45.100 -0.027 0.000 0.931 941 G HN 0.308 nan 8.290 nan 0.000 0.555 942 M N 0.330 119.904 119.600 -0.044 0.000 2.854 942 M HA 0.283 4.763 4.480 -0.000 0.000 0.203 942 M C 1.208 177.486 176.300 -0.037 0.000 1.069 942 M CA -0.218 55.054 55.300 -0.046 0.000 0.803 942 M CB 0.925 33.487 32.600 -0.062 0.000 1.380 942 M HN 0.675 nan 8.290 nan 0.000 0.494 943 K N 0.661 121.046 120.400 -0.024 0.000 2.116 943 K HA 0.033 4.353 4.320 -0.000 0.000 0.203 943 K C 0.923 177.513 176.600 -0.016 0.000 1.052 943 K CA 0.445 56.722 56.287 -0.016 0.000 0.952 943 K CB 0.349 32.846 32.500 -0.005 0.000 0.729 943 K HN 0.324 nan 8.250 nan 0.000 0.446 944 N N 1.841 120.531 118.700 -0.015 0.000 2.417 944 N HA -0.072 4.668 4.740 -0.000 0.000 0.272 944 N C 0.246 175.729 175.510 -0.045 0.000 1.304 944 N CA 0.482 53.524 53.050 -0.013 0.000 0.906 944 N CB 0.759 39.237 38.487 -0.015 0.000 1.135 944 N HN -0.003 nan 8.380 nan 0.000 0.483 945 K N 3.761 124.133 120.400 -0.048 0.000 2.262 945 K HA 0.082 4.402 4.320 -0.000 0.000 0.200 945 K C 1.504 178.045 176.600 -0.099 0.000 1.049 945 K CA 0.371 56.613 56.287 -0.074 0.000 0.979 945 K CB 0.243 32.704 32.500 -0.066 0.000 0.773 945 K HN 0.505 nan 8.250 nan 0.000 0.474 946 I N 1.346 121.827 120.570 -0.148 0.000 2.162 946 I HA -0.160 4.010 4.170 -0.000 0.000 0.238 946 I C 2.444 178.513 176.117 -0.081 0.000 1.076 946 I CA 0.723 61.908 61.300 -0.192 0.000 1.353 946 I CB -1.294 36.427 38.000 -0.465 0.000 1.063 946 I HN 0.048 nan 8.210 nan 0.000 0.408 947 L N 0.695 121.845 121.223 -0.121 0.000 2.151 947 L HA -0.265 4.075 4.340 -0.000 0.000 0.215 947 L C 2.499 179.325 176.870 -0.074 0.000 1.084 947 L CA 1.515 56.297 54.840 -0.097 0.000 0.764 947 L CB -0.125 41.878 42.059 -0.092 0.000 0.891 947 L HN 0.128 nan 8.230 nan 0.000 0.435 948 I N -0.856 119.670 120.570 -0.074 0.000 2.110 948 I HA -0.331 3.839 4.170 -0.000 0.000 0.236 948 I C 2.349 178.395 176.117 -0.118 0.000 1.068 948 I CA 1.808 63.041 61.300 -0.112 0.000 1.333 948 I CB -0.405 37.507 38.000 -0.146 0.000 1.054 948 I HN 0.363 nan 8.210 nan 0.000 0.402 949 F N 1.822 121.625 119.950 -0.245 0.000 2.236 949 F HA -0.187 4.340 4.527 -0.000 0.000 0.302 949 F C 2.053 177.804 175.800 -0.081 0.000 1.073 949 F CA 1.511 59.381 58.000 -0.217 0.000 1.336 949 F CB -0.598 38.294 39.000 -0.180 0.000 1.040 949 F HN 0.010 nan 8.300 nan 0.000 0.507 950 G N 1.208 109.946 108.800 -0.103 0.000 2.418 950 G HA2 -0.204 3.756 3.960 -0.000 0.000 0.217 950 G HA3 -0.204 3.756 3.960 -0.000 0.000 0.217 950 G C 1.731 176.524 174.900 -0.177 0.000 1.158 950 G CA 0.937 45.927 45.100 -0.183 0.000 0.771 950 G HN 0.454 nan 8.290 nan 0.000 0.545 951 L N -0.650 120.507 121.223 -0.110 0.000 2.012 951 L HA -0.091 4.249 4.340 -0.000 0.000 0.210 951 L C 2.752 179.597 176.870 -0.042 0.000 1.073 951 L CA 1.122 55.897 54.840 -0.110 0.000 0.748 951 L CB -0.440 41.498 42.059 -0.201 0.000 0.891 951 L HN 0.126 nan 8.230 nan 0.000 0.431 952 F N 0.205 119.963 119.950 -0.319 0.000 2.134 952 F HA -0.203 4.324 4.527 -0.000 0.000 0.299 952 F C 2.732 178.373 175.800 -0.265 0.000 1.097 952 F CA 1.145 58.987 58.000 -0.263 0.000 1.264 952 F CB -0.470 38.384 39.000 -0.244 0.000 1.001 952 F HN 0.082 nan 8.300 nan 0.000 0.479 953 E N -0.030 120.004 120.200 -0.278 0.000 2.051 953 E HA -0.178 4.172 4.350 -0.000 0.000 0.189 953 E C 2.203 178.746 176.600 -0.097 0.000 0.979 953 E CA 0.837 57.070 56.400 -0.279 0.000 0.803 953 E CB -0.567 28.796 29.700 -0.562 0.000 0.761 953 E HN 0.500 nan 8.360 nan 0.000 0.451 954 E N 0.269 120.424 120.200 -0.075 0.000 2.114 954 E HA -0.198 4.152 4.350 -0.000 0.000 0.199 954 E C 1.710 178.359 176.600 0.080 0.000 1.008 954 E CA 1.819 58.234 56.400 0.024 0.000 0.810 954 E CB 0.127 29.865 29.700 0.064 0.000 0.739 954 E HN 0.092 nan 8.360 nan 0.000 0.456 955 T N 0.155 114.773 114.554 0.107 0.000 2.668 955 T HA -0.045 4.305 4.350 -0.000 0.000 0.258 955 T C 1.862 176.644 174.700 0.137 0.000 1.051 955 T CA 1.386 63.583 62.100 0.163 0.000 1.155 955 T CB -0.481 68.499 68.868 0.187 0.000 0.864 955 T HN 0.376 nan 8.240 nan 0.000 0.413 956 A N 1.078 123.957 122.820 0.099 0.000 2.009 956 A HA -0.135 4.185 4.320 -0.000 0.000 0.222 956 A C 2.262 179.959 177.584 0.189 0.000 1.175 956 A CA 1.544 53.665 52.037 0.140 0.000 0.651 956 A CB -0.971 18.075 19.000 0.076 0.000 0.815 956 A HN 0.517 nan 8.150 nan 0.000 0.459 957 L N -1.268 120.043 121.223 0.148 0.000 2.023 957 L HA -0.057 4.283 4.340 -0.000 0.000 0.205 957 L C 2.947 179.989 176.870 0.286 0.000 1.073 957 L CA 1.292 56.245 54.840 0.189 0.000 0.745 957 L CB -0.520 41.620 42.059 0.136 0.000 0.900 957 L HN 0.409 nan 8.230 nan 0.000 0.435 958 A N 0.126 123.117 122.820 0.284 0.000 1.859 958 A HA -0.308 4.012 4.320 -0.000 0.000 0.217 958 A C 2.460 180.181 177.584 0.230 0.000 1.198 958 A CA 2.293 54.576 52.037 0.411 0.000 0.629 958 A CB -1.308 17.835 19.000 0.240 0.000 0.830 958 A HN 0.587 nan 8.150 nan 0.000 0.446 959 A N -1.261 121.680 122.820 0.203 0.000 1.909 959 A HA -0.252 4.068 4.320 -0.000 0.000 0.221 959 A C 2.140 179.901 177.584 0.295 0.000 1.223 959 A CA 2.202 54.451 52.037 0.354 0.000 0.658 959 A CB -0.959 18.372 19.000 0.552 0.000 0.831 959 A HN 0.898 nan 8.150 nan 0.000 0.462 960 F N -0.401 119.649 119.950 0.166 0.000 2.146 960 F HA -0.065 4.462 4.527 -0.000 0.000 0.298 960 F C 1.635 177.456 175.800 0.035 0.000 1.096 960 F CA 1.468 59.541 58.000 0.122 0.000 1.275 960 F CB -0.189 38.870 39.000 0.099 0.000 1.008 960 F HN 0.133 nan 8.300 nan 0.000 0.480 961 L N -0.264 121.033 121.223 0.123 0.000 2.642 961 L HA -0.097 4.243 4.340 -0.000 0.000 0.236 961 L C 2.209 178.921 176.870 -0.263 0.000 1.169 961 L CA 1.322 56.106 54.840 -0.094 0.000 0.851 961 L CB -1.095 40.873 42.059 -0.153 0.000 0.968 961 L HN 0.318 nan 8.230 nan 0.000 0.453 962 S N -1.561 113.978 115.700 -0.268 0.000 2.738 962 S HA 0.050 4.520 4.470 -0.000 0.000 0.216 962 S C 0.944 175.325 174.600 -0.366 0.000 0.968 962 S CA -0.172 57.806 58.200 -0.371 0.000 0.879 962 S CB -0.210 62.679 63.200 -0.518 0.000 0.837 962 S HN 0.305 nan 8.310 nan 0.000 0.622 963 Y N 1.470 121.755 120.300 -0.026 0.000 3.040 963 Y HA 0.384 4.934 4.550 -0.000 0.000 0.392 963 Y C 0.294 176.070 175.900 -0.206 0.000 1.105 963 Y CA -0.710 57.358 58.100 -0.054 0.000 1.950 963 Y CB -0.380 38.090 38.460 0.018 0.000 2.014 963 Y HN 0.189 nan 8.280 nan 0.000 0.433 964 C N 3.961 123.123 119.300 -0.230 0.000 2.298 964 C HA 0.403 4.863 4.460 -0.000 0.000 0.323 964 C C -2.105 172.773 174.990 -0.188 0.000 1.284 964 C CA -2.766 56.034 59.018 -0.364 0.000 1.577 964 C CB 0.152 27.476 27.740 -0.693 0.000 2.249 964 C HN 0.357 nan 8.230 nan 0.000 0.497 965 P HA 0.222 nan 4.420 nan 0.000 0.257 965 P C 0.782 178.043 177.300 -0.064 0.000 1.359 965 P CA 1.599 64.665 63.100 -0.056 0.000 1.239 965 P CB -0.184 31.503 31.700 -0.022 0.000 1.549 966 G N 3.320 112.069 108.800 -0.085 0.000 2.545 966 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.195 966 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.195 966 G C 1.070 175.888 174.900 -0.137 0.000 1.009 966 G CA -0.028 45.020 45.100 -0.087 0.000 0.703 966 G HN 0.281 nan 8.290 nan 0.000 0.479 967 M N 1.719 121.215 119.600 -0.173 0.000 2.195 967 M HA -0.020 4.460 4.480 -0.000 0.000 0.260 967 M C 2.532 178.645 176.300 -0.312 0.000 1.066 967 M CA 1.936 57.107 55.300 -0.216 0.000 1.089 967 M CB -1.522 30.930 32.600 -0.246 0.000 1.377 967 M HN 0.460 nan 8.290 nan 0.000 0.411 968 G N -1.074 107.499 108.800 -0.379 0.000 2.527 968 G HA2 0.008 3.968 3.960 -0.000 0.000 0.219 968 G HA3 0.008 3.968 3.960 -0.000 0.000 0.219 968 G C 1.446 176.026 174.900 -0.533 0.000 1.117 968 G CA 1.090 45.772 45.100 -0.697 0.000 0.759 968 G HN 0.433 nan 8.290 nan 0.000 0.556 969 V N -0.595 119.146 119.914 -0.289 0.000 3.058 969 V HA 0.285 4.405 4.120 -0.000 0.000 0.233 969 V C 2.819 178.816 176.094 -0.161 0.000 1.255 969 V CA 0.823 63.015 62.300 -0.181 0.000 1.267 969 V CB -0.242 31.524 31.823 -0.095 0.000 1.049 969 V HN 0.278 nan 8.190 nan 0.000 0.486 970 A N -0.299 122.437 122.820 -0.140 0.000 2.015 970 A HA 0.059 4.379 4.320 -0.000 0.000 0.219 970 A C 1.829 179.341 177.584 -0.120 0.000 1.163 970 A CA 1.581 53.559 52.037 -0.097 0.000 0.646 970 A CB -0.207 18.754 19.000 -0.066 0.000 0.806 970 A HN 0.484 nan 8.150 nan 0.000 0.448 971 L N -2.815 118.295 121.223 -0.189 0.000 3.410 971 L HA 0.247 4.587 4.340 -0.000 0.000 0.309 971 L C 0.147 176.837 176.870 -0.301 0.000 1.254 971 L CA -0.360 54.355 54.840 -0.209 0.000 1.048 971 L CB 0.370 42.315 42.059 -0.190 0.000 1.442 971 L HN 0.303 nan 8.230 nan 0.000 0.615 972 R N 0.894 121.166 120.500 -0.380 0.000 3.405 972 R HA -0.161 4.179 4.340 -0.000 0.000 0.258 972 R C -0.278 175.764 176.300 -0.429 0.000 1.030 972 R CA 0.640 56.437 56.100 -0.504 0.000 0.691 972 R CB -0.936 28.909 30.300 -0.758 0.000 1.093 972 R HN 0.243 nan 8.270 nan 0.000 0.448 973 M N 0.932 120.248 119.600 -0.474 0.000 2.088 973 M HA 0.288 4.768 4.480 -0.000 0.000 0.346 973 M C -0.321 175.720 176.300 -0.432 0.000 1.111 973 M CA -0.115 54.982 55.300 -0.339 0.000 1.017 973 M CB 0.878 33.282 32.600 -0.326 0.000 1.568 973 M HN -0.055 nan 8.290 nan 0.000 0.445 974 Y N 3.453 123.728 120.300 -0.041 0.000 2.487 974 Y HA 0.516 5.066 4.550 -0.000 0.000 0.337 974 Y C -1.826 174.079 175.900 0.007 0.000 1.076 974 Y CA -2.133 55.972 58.100 0.009 0.000 1.115 974 Y CB 0.662 39.161 38.460 0.065 0.000 1.235 974 Y HN 0.491 nan 8.280 nan 0.000 0.468 975 P HA 0.074 nan 4.420 nan 0.000 0.269 975 P C -0.927 176.576 177.300 0.338 0.000 1.217 975 P CA 0.199 63.399 63.100 0.167 0.000 0.783 975 P CB 1.024 32.986 31.700 0.436 0.000 0.898 976 L N 1.102 122.592 121.223 0.445 0.000 2.346 976 L HA 0.425 4.765 4.340 -0.000 0.000 0.276 976 L C 0.880 178.050 176.870 0.501 0.000 1.006 976 L CA -1.074 54.215 54.840 0.748 0.000 0.817 976 L CB 1.665 44.258 42.059 0.889 0.000 1.272 976 L HN 0.289 nan 8.230 nan 0.000 0.421 977 K N 2.683 123.032 120.400 -0.086 0.000 2.258 977 K HA 0.136 4.456 4.320 -0.000 0.000 0.264 977 K C -1.569 174.741 176.600 -0.483 0.000 1.007 977 K CA -1.297 54.621 56.287 -0.615 0.000 0.941 977 K CB 0.867 32.551 32.500 -1.360 0.000 0.966 977 K HN 0.231 nan 8.250 nan 0.000 0.480 978 P HA -0.299 nan 4.420 nan 0.000 0.216 978 P C 1.214 178.267 177.300 -0.411 0.000 1.167 978 P CA 1.717 64.555 63.100 -0.437 0.000 0.933 978 P CB -0.056 31.396 31.700 -0.415 0.000 0.793 979 T N -2.813 111.478 114.554 -0.439 0.000 3.052 979 T HA -0.166 4.184 4.350 -0.000 0.000 0.270 979 T C 1.414 176.258 174.700 0.240 0.000 1.147 979 T CA 0.945 62.896 62.100 -0.248 0.000 1.089 979 T CB -0.911 67.822 68.868 -0.225 0.000 0.875 979 T HN 0.223 nan 8.240 nan 0.000 0.541 980 W N -0.627 120.741 121.300 0.114 0.000 2.444 980 W HA 0.035 4.695 4.660 -0.000 0.000 0.308 980 W C 1.852 178.645 176.519 0.457 0.000 1.183 980 W CA -0.263 57.248 57.345 0.277 0.000 1.340 980 W CB -0.288 29.382 29.460 0.350 0.000 1.138 980 W HN 0.315 nan 8.180 nan 0.000 0.510 981 W N -0.302 121.285 121.300 0.478 0.000 2.338 981 W HA -0.138 4.522 4.660 0.000 0.000 0.304 981 W C 1.586 178.337 176.519 0.387 0.000 1.212 981 W CA 0.634 58.238 57.345 0.432 0.000 1.264 981 W CB -1.590 28.161 29.460 0.484 0.000 1.142 981 W HN -0.166 nan 8.180 nan 0.000 0.512 982 F N -0.394 119.635 119.950 0.131 0.000 2.716 982 F HA 0.044 4.571 4.527 -0.000 0.000 0.301 982 F C 1.728 177.613 175.800 0.141 0.000 1.210 982 F CA -0.616 57.249 58.000 -0.223 0.000 1.422 982 F CB -1.465 37.320 39.000 -0.358 0.000 1.073 982 F HN -0.136 nan 8.300 nan 0.000 0.525 983 C N -0.346 119.221 119.300 0.445 0.000 2.467 983 C HA 0.098 4.558 4.460 -0.000 0.000 0.279 983 C C 2.860 178.168 174.990 0.531 0.000 1.347 983 C CA 1.046 60.349 59.018 0.474 0.000 1.748 983 C CB -1.168 26.761 27.740 0.316 0.000 1.977 983 C HN 0.532 nan 8.230 nan 0.000 0.501 984 A N -0.729 122.324 122.820 0.388 0.000 2.081 984 A HA 0.167 4.487 4.320 -0.000 0.000 0.214 984 A C 1.707 179.477 177.584 0.311 0.000 1.158 984 A CA 0.313 52.523 52.037 0.289 0.000 0.724 984 A CB -0.680 18.342 19.000 0.037 0.000 0.826 984 A HN 0.477 nan 8.150 nan 0.000 0.463 985 F N 0.860 120.847 119.950 0.062 0.000 2.039 985 F HA -0.260 4.267 4.527 -0.000 0.000 0.296 985 F C -0.204 175.606 175.800 0.018 0.000 1.119 985 F CA 2.500 60.510 58.000 0.016 0.000 1.211 985 F CB -1.276 37.738 39.000 0.023 0.000 0.956 985 F HN 0.205 nan 8.300 nan 0.000 0.496 986 P HA -0.197 nan 4.420 nan 0.000 0.218 986 P C 0.899 178.111 177.300 -0.147 0.000 1.146 986 P CA 1.700 64.775 63.100 -0.041 0.000 0.813 986 P CB -0.243 31.337 31.700 -0.200 0.000 0.778 987 Y N -1.141 119.145 120.300 -0.022 0.000 2.201 987 Y HA -0.079 4.471 4.550 -0.000 0.000 0.292 987 Y C 2.918 178.802 175.900 -0.026 0.000 1.119 987 Y CA 1.334 59.408 58.100 -0.043 0.000 1.127 987 Y CB -0.881 37.540 38.460 -0.065 0.000 1.019 987 Y HN -0.095 nan 8.280 nan 0.000 0.514 988 S N 0.586 116.351 115.700 0.108 0.000 2.372 988 S HA -0.262 4.208 4.470 -0.000 0.000 0.227 988 S C 2.099 176.739 174.600 0.066 0.000 1.044 988 S CA 1.751 59.964 58.200 0.021 0.000 1.050 988 S CB -0.708 62.412 63.200 -0.133 0.000 0.901 988 S HN 0.487 nan 8.310 nan 0.000 0.447 989 L N 0.995 122.236 121.223 0.029 0.000 2.131 989 L HA 0.017 4.357 4.340 -0.000 0.000 0.210 989 L C 2.329 179.293 176.870 0.156 0.000 1.092 989 L CA 1.477 56.355 54.840 0.063 0.000 0.759 989 L CB -0.341 41.721 42.059 0.005 0.000 0.903 989 L HN 0.495 nan 8.230 nan 0.000 0.435 990 L N -0.113 121.181 121.223 0.117 0.000 1.989 990 L HA -0.272 4.068 4.340 -0.000 0.000 0.211 990 L C 2.452 179.445 176.870 0.206 0.000 1.071 990 L CA 1.901 56.823 54.840 0.136 0.000 0.749 990 L CB -0.298 41.813 42.059 0.087 0.000 0.890 990 L HN 0.271 nan 8.230 nan 0.000 0.431 991 I N -0.643 120.047 120.570 0.201 0.000 2.052 991 I HA -0.397 3.773 4.170 -0.000 0.000 0.235 991 I C 2.437 178.707 176.117 0.256 0.000 1.046 991 I CA 2.096 63.529 61.300 0.223 0.000 1.308 991 I CB -0.726 37.376 38.000 0.170 0.000 1.031 991 I HN 0.342 nan 8.210 nan 0.000 0.395 992 F N 1.540 121.556 119.950 0.110 0.000 2.063 992 F HA -0.345 4.182 4.527 -0.000 0.000 0.296 992 F C 2.324 178.189 175.800 0.110 0.000 1.093 992 F CA 2.348 60.406 58.000 0.098 0.000 1.229 992 F CB -0.618 38.426 39.000 0.075 0.000 0.971 992 F HN -0.175 nan 8.300 nan 0.000 0.491 993 V N -0.504 119.608 119.914 0.329 0.000 2.244 993 V HA -0.313 3.807 4.120 -0.000 0.000 0.244 993 V C 2.054 178.204 176.094 0.093 0.000 1.042 993 V CA 2.121 64.546 62.300 0.208 0.000 1.006 993 V CB -1.296 30.687 31.823 0.267 0.000 0.641 993 V HN 0.589 nan 8.190 nan 0.000 0.446 994 Y N 1.467 121.796 120.300 0.049 0.000 2.181 994 Y HA -0.327 4.223 4.550 -0.000 0.000 0.284 994 Y C 2.165 178.064 175.900 -0.001 0.000 1.179 994 Y CA 2.310 60.428 58.100 0.029 0.000 1.179 994 Y CB -0.442 38.045 38.460 0.044 0.000 0.973 994 Y HN 0.404 nan 8.280 nan 0.000 0.519 995 D N -0.764 119.529 120.400 -0.179 0.000 2.162 995 D HA -0.099 4.541 4.640 -0.000 0.000 0.205 995 D C 2.047 178.198 176.300 -0.249 0.000 0.964 995 D CA 1.113 54.950 54.000 -0.272 0.000 0.847 995 D CB -0.122 40.615 40.800 -0.106 0.000 0.988 995 D HN 0.353 nan 8.370 nan 0.000 0.480 996 E N -0.207 119.830 120.200 -0.272 0.000 2.085 996 E HA -0.121 4.229 4.350 -0.000 0.000 0.194 996 E C 2.065 178.580 176.600 -0.141 0.000 0.994 996 E CA 0.742 57.002 56.400 -0.234 0.000 0.801 996 E CB -0.333 29.177 29.700 -0.317 0.000 0.743 996 E HN 0.103 nan 8.360 nan 0.000 0.453 997 V N 0.949 120.787 119.914 -0.125 0.000 2.261 997 V HA -0.291 3.829 4.120 -0.000 0.000 0.246 997 V C 2.611 178.621 176.094 -0.140 0.000 1.047 997 V CA 2.291 64.535 62.300 -0.095 0.000 1.015 997 V CB -0.642 31.155 31.823 -0.044 0.000 0.642 997 V HN 0.350 nan 8.190 nan 0.000 0.446 998 R N 0.443 120.793 120.500 -0.250 0.000 2.103 998 R HA -0.244 4.096 4.340 -0.000 0.000 0.242 998 R C 2.285 178.488 176.300 -0.162 0.000 1.142 998 R CA 2.123 58.063 56.100 -0.267 0.000 0.960 998 R CB -0.291 29.730 30.300 -0.464 0.000 0.858 998 R HN 0.488 nan 8.270 nan 0.000 0.439 999 K N 0.712 121.032 120.400 -0.133 0.000 2.097 999 K HA -0.090 4.229 4.320 -0.000 0.000 0.205 999 K C 2.129 178.686 176.600 -0.070 0.000 1.050 999 K CA 0.938 57.182 56.287 -0.072 0.000 0.938 999 K CB -0.322 32.147 32.500 -0.052 0.000 0.718 999 K HN 0.230 nan 8.250 nan 0.000 0.442 1000 L N 1.820 122.999 121.223 -0.073 0.000 2.079 1000 L HA -0.191 4.149 4.340 -0.000 0.000 0.210 1000 L C 1.893 178.725 176.870 -0.064 0.000 1.081 1000 L CA 1.709 56.512 54.840 -0.061 0.000 0.752 1000 L CB -0.504 41.521 42.059 -0.056 0.000 0.896 1000 L HN 0.153 nan 8.230 nan 0.000 0.433 1001 I N 0.019 120.544 120.570 -0.076 0.000 2.286 1001 I HA -0.267 3.903 4.170 -0.000 0.000 0.245 1001 I C 2.739 178.802 176.117 -0.090 0.000 1.104 1001 I CA 1.045 62.301 61.300 -0.073 0.000 1.397 1001 I CB -0.697 37.255 38.000 -0.080 0.000 1.072 1001 I HN 0.245 nan 8.210 nan 0.000 0.417 1002 I N 0.682 121.186 120.570 -0.111 0.000 2.208 1002 I HA -0.332 3.838 4.170 -0.000 0.000 0.245 1002 I C 2.791 178.819 176.117 -0.148 0.000 1.097 1002 I CA 1.345 62.557 61.300 -0.148 0.000 1.363 1002 I CB -0.258 37.647 38.000 -0.157 0.000 1.051 1002 I HN 0.219 nan 8.210 nan 0.000 0.413 1003 R N 0.079 120.514 120.500 -0.108 0.000 2.070 1003 R HA -0.150 4.190 4.340 -0.000 0.000 0.233 1003 R C 2.477 178.734 176.300 -0.071 0.000 1.137 1003 R CA 1.306 57.353 56.100 -0.088 0.000 0.945 1003 R CB -0.460 29.805 30.300 -0.059 0.000 0.845 1003 R HN 0.315 nan 8.270 nan 0.000 0.430 1004 R N 0.482 120.948 120.500 -0.057 0.000 2.073 1004 R HA -0.026 4.313 4.340 -0.000 0.000 0.234 1004 R C 0.699 176.976 176.300 -0.039 0.000 1.134 1004 R CA 1.191 57.266 56.100 -0.041 0.000 0.952 1004 R CB 0.077 30.359 30.300 -0.031 0.000 0.850 1004 R HN 0.051 nan 8.270 nan 0.000 0.433 1005 R N 1.159 121.632 120.500 -0.046 0.000 2.575 1005 R HA 0.188 4.528 4.340 -0.000 0.000 0.281 1005 R C -2.253 174.010 176.300 -0.062 0.000 1.272 1005 R CA -1.477 54.601 56.100 -0.036 0.000 1.417 1005 R CB 1.363 31.656 30.300 -0.011 0.000 1.121 1005 R HN 0.128 nan 8.270 nan 0.000 0.583 1006 P HA 0.075 nan 4.420 nan 0.000 0.225 1006 P C 0.467 177.731 177.300 -0.060 0.000 1.768 1006 P CA 0.100 63.142 63.100 -0.098 0.000 0.943 1006 P CB 0.721 32.367 31.700 -0.091 0.000 1.936 1007 G N 0.679 109.457 108.800 -0.037 0.000 2.535 1007 G HA2 0.482 4.442 3.960 -0.000 0.000 0.210 1007 G HA3 0.482 4.442 3.960 -0.000 0.000 0.210 1007 G C 0.303 175.206 174.900 0.005 0.000 1.593 1007 G CA 0.436 45.537 45.100 0.002 0.000 0.948 1007 G HN 0.595 nan 8.290 nan 0.000 0.476 1008 G N -2.678 106.142 108.800 0.032 0.000 2.338 1008 G HA2 0.270 4.230 3.960 -0.000 0.000 0.295 1008 G HA3 0.270 4.230 3.960 -0.000 0.000 0.295 1008 G C -0.144 174.827 174.900 0.118 0.000 1.461 1008 G CA 0.156 45.297 45.100 0.067 0.000 0.817 1008 G HN 0.729 nan 8.290 nan 0.000 0.556 1009 W N 1.303 122.612 121.300 0.015 0.000 3.077 1009 W HA 0.198 4.857 4.660 -0.000 0.000 0.245 1009 W C -0.172 176.367 176.519 0.033 0.000 1.316 1009 W CA 0.747 58.108 57.345 0.026 0.000 1.537 1009 W CB 0.002 29.476 29.460 0.023 0.000 1.131 1009 W HN 0.200 nan 8.180 nan 0.000 0.695 1010 V N 0.826 120.504 119.914 -0.393 0.000 2.922 1010 V HA -0.115 4.005 4.120 -0.000 0.000 0.242 1010 V C 2.262 178.203 176.094 -0.256 0.000 1.094 1010 V CA 2.073 64.072 62.300 -0.502 0.000 1.106 1010 V CB 0.142 31.782 31.823 -0.305 0.000 0.799 1010 V HN 0.175 nan 8.190 nan 0.000 0.474 1011 E N 0.764 120.884 120.200 -0.133 0.000 2.099 1011 E HA -0.063 4.287 4.350 -0.000 0.000 0.191 1011 E C 1.699 178.353 176.600 0.089 0.000 0.962 1011 E CA 0.376 56.753 56.400 -0.038 0.000 0.826 1011 E CB 0.097 29.680 29.700 -0.195 0.000 0.788 1011 E HN 0.450 nan 8.360 nan 0.000 0.461 1012 K N 0.345 120.780 120.400 0.058 0.000 2.569 1012 K HA 0.013 4.333 4.320 -0.000 0.000 0.193 1012 K C 1.183 177.840 176.600 0.095 0.000 1.026 1012 K CA 0.274 56.623 56.287 0.103 0.000 1.093 1012 K CB 0.354 32.915 32.500 0.101 0.000 0.849 1012 K HN 0.155 nan 8.250 nan 0.000 0.509 1013 E N -0.701 119.520 120.200 0.035 0.000 2.399 1013 E HA 0.023 4.373 4.350 -0.000 0.000 0.206 1013 E C 1.183 177.764 176.600 -0.031 0.000 0.812 1013 E CA 0.994 57.401 56.400 0.010 0.000 1.138 1013 E CB 0.955 30.608 29.700 -0.077 0.000 1.140 1013 E HN 0.223 nan 8.360 nan 0.000 0.536 1014 T N -1.272 113.251 114.554 -0.053 0.000 2.964 1014 T HA 0.053 4.403 4.350 -0.000 0.000 0.249 1014 T C 0.641 175.388 174.700 0.078 0.000 1.000 1014 T CA -0.306 61.770 62.100 -0.040 0.000 0.992 1014 T CB -0.127 68.683 68.868 -0.096 0.000 1.087 1014 T HN -0.016 nan 8.240 nan 0.000 0.489 1015 Y N 4.125 124.435 120.300 0.017 0.000 2.730 1015 Y HA 0.287 4.837 4.550 -0.000 0.000 0.357 1015 Y C -0.079 175.947 175.900 0.211 0.000 1.167 1015 Y CA -2.191 55.990 58.100 0.134 0.000 1.579 1015 Y CB -1.299 37.197 38.460 0.060 0.000 1.262 1015 Y HN 0.098 nan 8.280 nan 0.000 0.510 1016 Y N 0.000 120.156 120.300 -0.240 0.000 2.660 1016 Y HA 0.000 4.550 4.550 -0.000 0.000 0.201 1016 Y CA 0.000 57.975 58.100 -0.208 0.000 1.940 1016 Y CB 0.000 38.323 38.460 -0.229 0.000 1.050 1016 Y HN 0.000 nan 8.280 nan 0.000 0.758